American Mineralogist Crystal Structure Database

117 matching records for this search.

Glagolevite
 
Krivovichev S V, Armbruster T, Organova N I, Burns P C, Seredkin M V, Chukanov N V
Download am/vol89/AM89_1138.pdf
American Mineralogist 89 (2004) 1138-1141
Incorporation of sodium into the chlorite structure: the crystal structure
of glagolevite, Na(Mg,Al)6[Si3AlO10](OH,O)8
_database_code_amcsd 0003597
5.3580 9.2810 14.574 90.00 97.08 90.00 C1
atom      x      y      z  occ  Uiso
Mg1    .242  .5794  .4995      .0075
Mg2   -.259 -.5860 -.4995      .0075
Mg3    .246  .2457  .4986      .0075
Mg4    .243  .7495  .0011      .0075
Mg5    .247  .4145  .9999      .0075
Mg6   -.253 -.4189 -.9991      .0075
Na1   -.512   .751   .805  .30  .035
Na2   -.556  -.735  -.793  .10  .035
Na3    .414  -.426  -.803  .18  .035
Si1  -.0333  .5797  .6897      .0063
Si2    .488   .738  .6758 .199 .0063
Si3   .4876  .4198  .6921 .801 .0063
Si4   .0194 -.5837 -.6897      .0063
Si5   -.457 -.4107 -.6878 .383 .0063
Si6  -.5006 -.7581 -.6930 .617 .0063
O1    -.059  .5824  .5764      .0106
O2     .253  .5163  .7300 .801 .0106
O3    -.038  .7469  .7316 .801 .0106
O4    -.237  .4792  .7357 .801 .0106
O5     .256   .641   .710 .199 .0106
O6    -.039  .4050   .710 .199 .0106
O7    -.266   .661   .729 .199 .0106
O8     .430  .7481  .5664      .0106
O9     .263  -.490  -.720 .383 .0106
O10   -.248  -.509 -.7309 .383 .0106
O11    .070  -.747  -.726 .383 .0106
O12    .058 -.5843 -.5780      .0106
O13    .223  -.687 -.7344 .617 .0106
O14    .033 -.4226 -.7345 .617 .0106
O15   -.256  -.658 -.7309 .617 .0106
O16   -.447 -.7517 -.5785      .0106
O17    .436  .4140  .5719      .0106
O18   -.447 -.4204 -.5782      .0106
OH19   .409  .5841  .9286      .0106
OH20  -.378 -.5846 -.9307      .0106
OH21   .116  .5829  .0709      .0106
OH22  -.092 -.5868 -.0735      .0106
OH23   .619  .7511  .0719      .0106
OH24  -.598 -.7477 -.0690      .0106
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Footemineite
 
Atencio D, Matioli P A, Smith J B, Chukanov N V, Coutinho J M V,
Rastsvetaeva R K, Mockel S
Download am/vol93/AM93_1.pdf
American Mineralogist 93 (2008) 1-6
Footemineite, the Mn-analog of atencioite, from the Foote mine, Kings Mountain,
Cleveland County, North Carolina, U.S.A., and its relationship with other
roscherite-group minerals
Locality: Foote mine, Kings Mountain, Cleveland County, North Carolina, USA
_database_code_amcsd 0004490
6.788 9.972 10.014 73.84 85.34 87.44 P-1
atom      x     y     z occ Biso
Ca    .7463 .2608 .7372     1.30
MnD1      0     0     0  .9 1.86
LiD2     .5     0     0 .17  4.2
MgD2     .5     0     0 .05  4.2
MnM1  .4924 .9916 .6673 .81 1.17
FeM1  .4924 .9916 .6673 .13 1.17
MnM2 -.0009 .6702 .9877 .81 1.20
FeM2 -.0009 .6702 .9877 .13 1.20
P1    .2465 .2740 .7218     1.12
P2    .4818 .6931 .9352     1.14
P3   -.0249 .9360 .6947     1.07
Be1    .697  .506  .157      1.3
Be2    .796  .841  .495      1.3
O1    .1953 .9555 .3260      1.3
O2    .6954 .3281 .9555      1.4
O3    .4513 .6185 .8218      1.3
O4    .3269 .3673 .9918      1.4
O5    .6742 .5813 .2846      1.7
O6    .4205 .1690 .7505      1.3
O7    .0737 .2288 .8365      1.4
O8    .5091 .8500 .8673      1.4
O9    .1699 .0091 .6257      1.3
O10   .1627 .2838 .5797      1.4
O11   .9369 .8186 .6281      1.2
O12  -.0057 .1255 .1490      1.5
OH1   .5632 .8572 .5396      1.4
OH2   .9312 .4649 .1391      1.3
Wat1  .7131 .0443 .9543      1.8
Wat2  .2228 .4887 .3263      1.9
Wat3  .2648 .6724 .5170      1.9
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Fukalite
Download hom/fukalite.pdf
Merlino S, Bonaccorsi E, Grabezhev A I, Zadov A E, Pertsev N N, Chukanov N V
Download am/vol94/AM94_323.pdf
American Mineralogist 94 (2009) 323-333
Fukalite: An example of an OD structure with two-dimensional disorder
Locality: Gumeshevsk skarn, Central Urals, Russia
_database_code_amcsd 0004836
7.573 23.364 11.544 90 109.15 90 P2_1/c
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .4339  .0436  .1247 .012   .009   .014   .012   .000   .002   .000
Ca1A  .9391  .0437  .1237 .012   .008   .014   .011   .000   .002   .000
Ca4   .3111 -.0452  .3734 .012   .009   .015   .011   .000   .002   .000
Ca4A  .8112 -.0457  .3737 .013   .010   .015   .013   .000   .003   .001
Ca2   .2768 -.3094  .3037 .015   .012   .016   .013   .001   .000  -.001
Ca2A  .7776 -.3091  .3074 .014   .011   .015   .013   .000   .001   .000
Ca3   .5957 -.1932  .4398 .014   .011   .014   .013   .000   .000  -.001
Ca3A  .0963 -.1929  .4435 .014   .013   .016   .012   .000   .001  -.001
Si1   .4743 -.0860  .1237 .014   .014   .015   .013   .000   .002   .000
Si1A  .8998 -.0863  .1257 .014   .014   .014   .013   .001   .002   .000
Si2   .3946 -.2179  .1218 .015   .016   .016   .012   .001   .002   .000
Si2A  .9798 -.2182  .1274 .015   .016   .016   .012   .000   .002   .000
C1    .3117  .0816  .3764 .010
C1A   .8149  .0796  .3761 .011
O1    .1192  .0506 -.0049 .014
O1A   .6267  .0489 -.0037 .013
O2    .4915 -.0480  .2429 .013
O2A   .0014 -.0473  .2436 .013
O3    .3657  .0515  .4774 .016
O3A   .8632  .0496  .4773 .016
O4    .2616  .0538  .2740 .017
O4A   .7608  .0518  .2735 .016
O5    .3164  .1353  .3792 .020
O5A   .8143  .1332  .3786 .021
O6    .5335 -.2421  .2457 .019
O6A  -.0246 -.2432  .2542 .019
O7    .3967 -.2413 -.0067 .019
O7A   .8411 -.2409  .0017 .019
O8    .1865 -.2414  .1246 .019
O8A   .6880 -.1011  .1275 .021
O9    .3808 -.1479  .1236 .020
O9A   .9952 -.1482  .1311 .020
OH1   .3091 -.1443  .3736 .013
OH1A  .8174 -.1437  .3784 .013
OH2   .4434  .1423  .1298 .013
OH2A  .9347  .1434  .1242 .014
H1    .2763 -.1503  .2997 .050
H1A   .7735 -.1509  .2973 .050
H2    .3970  .1509  .0516 .050
H2A   .8984  .1479  .0450 .050
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Mejillonesite
 
Atencio D, Chukanov N V, Nestola F, Witzke T, Coutinho J M V,
Zadov A E, Contreira R R, Farber G
 
American Mineralogist 97 (2012) 19-25
Mejillonesite, a new acid sodium, magnesium phosphate mineral,
from Mejillones, Antofagasta, Chile
Locality: Mejillones, Antofagasta, Chile
_database_code_amcsd 0018764
16.295 13.009 8.434 90 90 90 Pbca
atom     x     y     z  Uiso
Na   .0322 .8839 .9341 .0218
Mg1  .2434 .8832 .9481 .0128
Mg2  .2437 .8881 .3390 .0127
P1   .1382 .0534 .1427 .0097
P2   .1432 .7876 .6463 .0100
O11  .1933 .0297 .2903 .0154
O12  .1180 .1703 .1361 .0165
O13  .1870 .0243 .9902 .0180
O14  .0585 .9910 .1507 .0225
O21  .1930 .8130 .1433 .0180
O22  .1599 .6425 .0080 .0222
O23  .1502 .8420 .8054 .0206
OH24 .0475 .7451 .1263 .0238
Ow   .9897 .8748 .3494 .0327
OZ1  .1866 .2492 .8895 .0200
OZ2  .1701 .4291 .1347 .0221
H1    .173  .486  .821  .053
H2    .160  .249  .179  .044
H3    .135  .448  .068  .053
H4    .005  .604  .964  .024
H5    .142  .212  .959  .052
H6    .000  .820  .319  .055
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Witzkeite
 
Nestola F, Camara F, Chukanov N V, Atencio D,
Coutinho J M V, Contreira R R, Farber G
 
American Mineralogist 97 (2012) 1783-1787
Witzkeite: A new rare nitrate-sulphate mineral
from a guano deposit at Punta de Lobos, Chile
Locality: Punta de Lobos, Chile
_database_code_amcsd 0019473
24.902 5.3323 17.246 90 94.281 90 C2/c
atom      x       y       z occ  Uiso
Na1  .41977  .24195  .07588     .0214
Na2  .50009 -.26669  .08618     .0241
K1   .15202  .25031  .10623     .0247
K2   .32417  .24292  .23240     .0275
Ca       .5   .1735     .25     .0163
Fe       .5    .333     .25 .05 .0152
S1   .56605 -.75113  .07266     .0153
S2   .41680 -.27020  .22437     .0157
N1   .75732   .2462  .12315     .0323
O1   .43161   .4724  .20028     .0258
O2   .35931  -.2587  .23440     .0226
O3   .43758  -.0133 -.02829     .0239
O4   .43613   .5377 -.01849     .0227
O5   .55222  -.2044  .20292     .0238
O6   .38488   .2567  .37627     .0250
O7   .51776   .2672  .11856     .0210
O8   .43192  -.0888  .16526     .0259
O9   .25780   .0436  .34995     .0413
O10  .25789   .4491  .34928     .0417
O11  .78891   .2472  .07049     .0504
Ow   .32731   .2459  .05085     .0383
H1    .3102    .377    .059      .037
H2     .308    .134    .060       .07
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Krasheninnikovite
 
Pekov I V, Zelenski M E, Zubkova N V, Ksenofontov D A, Kabalov Y K,
Chukanov N V, Yapaskurt V O, Zadov A E, Pushcharovsky D Y
 
American Mineralogist 97 (2012) 1788-1795
Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from
the Tolbachik volcano, Kamchatka, Russia
Locality: Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0019472
16.6682 16.6682 6.9007 90 90 120 P6_3/mcm
atom     x      y     z occ Uiso
Mg      .5      0     0     .009
Ca       0  .2371   .25     .012
Na   .7038  .1158   .25     .025
K        0      0     0     .027
K      2/3    1/3     0 .72 .053
Na     2/3    1/3     0 .28 .053
S1   .8117      0   .25     .013
S2   .5371  .6843   .25     .015
F    .5577      0   .25     .019
O1   .4706  .7139   .25     .014
O2   .5237  .6263 .4234     .052
O3   .6271  .7632   .25     .052
O4   .8230 -.0789   .25     .022
O5   .7559      0  .086     .025
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Hydrokenomicrolite
 
Andrade M B, Atencio D, Chukanov N V, Ellena J
 
American Mineralogist 98 (2013) 292-296
Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral
from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
Locality: Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
_database_code_amcsd 0019783
10.454 10.454 10.454 90 90 90 *Fd3m
.125 .125 .125
atom      x    y    z  occ  Uiso
BaA      .5   .5   .5  .33 .0556
SrA      .5   .5   .5  .27 .0556
UA       .5   .5   .5  .10 .0556
CeA      .5   .5   .5  .02 .0556
LaA      .5   .5   .5  .02 .0556
MnA      .5   .5   .5  .02 .0556
NdA      .5   .5   .5  .02 .0556
BiA      .5   .5   .5  .01 .0556
CaA      .5   .5   .5  .01 .0556
PbA      .5   .5   .5  .01 .0556
TaB       0    0    0 .875 .0306
NbB       0    0    0  .05 .0306
SnB       0    0    0  .05 .0306
SiB       0    0    0  .02 .0306
TiB       0    0    0 .005 .0306
OX    .3191 .125 .125 .962  .038
OHX   .3191 .125 .125 .038  .038
WatY   .375 .375 .375  .32  .051
CsY    .375 .375 .375  .03  .051
WatY'  .747 .747 .747  .65  .051
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Correianevesite
 
Chukanov N V, Scholz R, Zubkova N V, Pekov I V, Belakovskiy D I, Van K V,
Lagoeiro L, Graca L M, Krambrock K, de Oliveire L C A, Menezes L A D,
Chaves M L S C, Pushcharovsky D Y
 
American Mineralogist 99 (2014) 811-816
Correianevesite, Fe2+Mn2+2(PO4)2*3H2O, a new reddingite-group mineral
from the Cigana mine, Conselheiro Pena, Minas Gerais, Brazil
Locality: Cigana mine, Conselheiro Pena, Minas Gerais, Brazil
_database_code_amcsd 0020021
9.48871 10.11494 8.70624 90 90 90 Pbna
atom        x       y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Fe2+1       0       0      0 .80 .00978 .01124 .00880 .00930 -.00117 -.00259 -.00005
Mn2+1       0       0      0 .20 .00978 .01124 .00880 .00930 -.00117 -.00259 -.00005
Mn2+2 .065331 .097199 .63633 .74 .01010 .01149 .00988 .00894 -.00265  .00013 -.00086
Fe2+2 .065331 .097199 .63633 .26 .01010 .01149 .00988 .00894 -.00265  .00013 -.00086
P      .20457  .10607 .29198     .00713 .00643 .00743 .00752 -.00037  .00035 -.00028
O1     .21646  .25363 .33350     .01207  .0116  .0077  .0169   .0000   .0000  -.0014
O2     .10430  .03779 .40585     .01146  .0109  .0133  .0103  -.0036   .0024   .0003
O3     .35133  .04233 .30005     .01229  .0088  .0125  .0155   .0027   .0004  -.0015
O4     .14828  .09733 .12677     .01383  .0150  .0183  .0082  -.0040  -.0019  -.0002
O5    -.09290     .25     .5      .0198  .0208  .0171  .0216    .000    .000  -.0045
O6    -.02810  .32654 .14686     .01156  .0114  .0093  .0140  -.0012  -.0001  -.0003
H61      .018    .252   .134       .052
H62     -.113    .287   .159       .054
H5      -.139    .191   .454       .055
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Beshtauite
 
Pekov I V, Krivovichev S V, Yapaskurt V O, Chukanov N V, Belakovskiy D I
 
American Mineralogist 99 (2014) 1783-1787
Beshtauite, (NH4)2(UO2)(SO4)2*2H2O, a new mineral from Mount Beshtau,
Northern Caucasus, Russia
Locality: Mount Beshtau, Stavropol region, Northern Caucasus, Russia
_database_code_amcsd 0020412
7.7360 7.3712 20.856 90 102.123 90 P2_1/c
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
U    .23061 .38928 .37715 .0293  .0249  .0355  .0241 -.00077 -.0027 .00004
S1    .5491  .7163 .45439 .0304  .0296  .0341  .0236  -.0021 -.0029  .0009
S2    .1430  .7270 .24760 .0356  .0349  .0380  .0293   .0033 -.0042  .0039
O1    .4130  .3669  .3372  .036   .018   .053   .033    .013  -.001  -.002
O2    .0467  .4114  .4152  .040   .015   .054   .048    .006  -.003   .002
O3    .4013  .2569  .4739  .039   .039   .044   .026    .002  -.007  -.009
O4    .3716  .6324  .4410  .038   .031   .041   .040   -.014   .006  -.012
O5    .5366  .8922  .4224  .044   .038   .049   .041   -.002  -.001   .012
O6    .6765  .5995  .4312  .043   .035   .051   .040    .008   .002  -.008
O7    .1371  .6472  .3134  .043   .041   .053   .030    .000  -.002   .012
O8    .0441  .2741  .2819  .049   .040   .061   .041   -.010  -.003  -.004
O9     .212  .6014  .2078  .061   .078   .059   .051    .026   .025   .007
O10    .249  .8903  .2601  .056   .058   .059   .045   -.021   .000   .002
Wat1  .2199  .0527  .3763  .041   .035   .031   .045    .007  -.021   .002
Wat2  .7591  .1976  .4334  .055   .057   .053   .059   -.005   .021   .001
N1    .6569  .7268  .2981  .040   .051   .034   .038    .006   .018   .007
H1a   .6569  .7268  .2981  .040   .051   .034   .038    .006   .018   .007
H1b   .6569  .7268  .2981  .040   .051   .034   .038    .006   .018   .007
H1c   .6569  .7268  .2981  .040   .051   .034   .038    .006   .018   .007
H1d   .6569  .7268  .2981  .040   .051   .034   .038    .006   .018   .007
N2     .982   .843  .4449  .060   .031   .094   .051   -.005   .001   .005
H2a    .982   .843  .4449  .060   .031   .094   .051   -.005   .001   .005
H2b    .982   .843  .4449  .060   .031   .094   .051   -.005   .001   .005
H2c    .982   .843  .4449  .060   .031   .094   .051   -.005   .001   .005
H2d    .982   .843  .4449  .060   .031   .094   .051   -.005   .001   .005
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Fluorvesuvianite
 
Britvin S N, Antonov A A, Krivovichev S V, Armbruster T, Burns P C, Chukanov N V
Download cm/vol41/CM41_1371.pdf
The Canadian Mineralogist 41 (2003) 1371-1380
Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species
from Pitkaranta, Karelia, Russia: Description and crystal structure
Locality: Pitkaranta, Karelia, Russia
_database_code_amcsd 0005894
15.5295 15.5295 11.7808 90 90 90 *P4/nnc
.25 .25 .25
atom          x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1         3/4    1/4      0 .803 .0031  .0029  .0029  .0034      0      0      0
Si2      .81894 .04068 .87126      .0097  .0093  .0104  .0095  .0004  .0007  .0007
Si3      .91766 .84952 .36457      .0102  .0135  .0081  .0091 -.0012  .0002  .0008
Ca1         3/4    1/4    1/4      .0113  .0131  .0099  .0108      0      0      0
Ca2      .81096 .04346 .37980      .0111  .0095  .0128  .0109  .0010 -.0002  .0001
Ca3      .89923 .82022 .88711      .0156  .0132  .0130  .0207  .0020 -.0057 -.0026
Ca4         3/4    3/4  .1428  .50 .0140  .0140  .0140   .014      0      0      0
Fe1         3/4    3/4  .0500  .50 .0255  .0141  .0141   .048      0      0      0
Al2           0      0      0      .0103  .0095  .0067  .0148  .0013  .0019  .0003
Fe3      .88813 .12071 .12691 .046 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
Al3      .88813 .12071 .12691 .780 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
Mg3      .88813 .12071 .12691  .17 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
O1        .7811  .1714  .0869      .0111   .010   .014   .009 -.0006  -.002 -.0042
O2        .8835  .1594  .2785      .0096   .012   .008   .009 -.0005  -.001  .0016
O3        .9504  .2782  .4233      .0104   .014   .009   .009 -.0025 -.0027 -.0034
O4        .1067 -.0627  .0296      .0106   .010   .009   .012 -.0033 -.0004  .0021
O5        .8305  .0148  .1782      .0121   .009   .012   .015  .0061  .0037  .0008
O6        .8823  .7288  .0590      .0148   .021   .010   .014  .0034   .003  .0025
O7        .0564  .1750  .3221      .0122   .011   .013   .013  .0016 -.0002  .0031
O8        .0906  .0610  .5661      .0104   .010   .009   .012 -.0008 -.0008 -.0028
O9        .8554  .8554    1/4      .0109  .0115  .0115   .010  -.002 -.0017  .0017
O10         3/4    3/4  .8642      .0146   .014   .014   .015      0      0      0
F11      -.0047  .0620  .1374  .72 .0166   .016   .020   .014 -.0006 -.0010 -.0030
O11      -.0047  .0620  .1374  .28 .0166   .016   .020   .014 -.0006 -.0010 -.0030
H           3/4    3/4    3/4       .080
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Sturmanite
Download hom/sturmanite.pdf
Pushcharovsky D Y, Lebedeva Y S, Zubkova N V, Pasero M, Bellezza M,
Merlino S, Chukanov N V
Download cm/vol42/CM42_723.pdf
The Canadian Mineralogist 42 (2004) 723-729
The crystal structure of sturmanite
Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa
_database_code_amcsd 0005934
11.188 11.188 21.91 90 90 120 P31c
atom      x     y     z occ  Uiso
Fe1       0     0 .0527 .29 .0162
Fe2       0     0 .3015 .30 .0174
Ca1   .0088 .8133 .9276     .0224
Ca2   .9966 .1941 .1775     .0298
S1      1/3   2/3 .5454 .24 .0177
B1      1/3   2/3 .5378 .09  .020
S2      1/3   2/3 .8032     .0253
S3      1/3   2/3 .0571     .0341
B4      1/3   2/3 .3036      .049
O1    .9911 .1295 .9935      .028
O2    .0077 .8616 .1070      .024
O3   -.0028 .1371 .8609      .024
O4    .0057 .8691 .2456      .041
O5    .0023 .3355 .0986      .041
O6    .0157 .6591 .0077      .040
O7    .9939 .3553 .2560      .075
O8    .9952 .6660 .8428      .034
O9    .2655 .4111 .6759      .056
O10   .7416 .5858 .4296      .036
O11   .2397 .3986 .1820      .038
O12   .7393 .5784 .9240      .084
O13     1/3   2/3 .4816 .24  .135
O14     1/3   2/3 .7369 .17  .046
O14'    1/3   2/3 .8694 .17  .046
O15     1/3   2/3 .1218      .017
O16   .1995 .6326 .5671      .025
O17   .1914  .579 .8233 .50  .044
O17'  .1963  .632 .7728 .50  .044
O18   .1917 .5844 .0421      .169
O19   .2325 .7100 .2816 .50  .076
O19'  .1861  .572 .3248 .50  .076
O20     1/3   2/3 .3702 .17  .091
O20'    1/3   2/3 .2363 .17  .091
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Niveolanite
 
Pekov I V, Zubkova N V, Chukanov N V, Agakhanov A A, Belakovskiy D I, Horvath L,
Filinchuk Y E, Gobechiya E R, Pushcharovsky D Y, Rabadanov M K
Download cm/vol46/CM46_1343.pdf
The Canadian Mineralogist 46 (2008) 1343-1354
Niveolanite, the first natural beryllium carbonate, a new mineral species from
Mont Saint-Hilaire, Quebec, Canada
Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0006196
13.1304 13.1304 5.4189 90 90 90 P4/mcc
atom      x      y     z occ  Uiso
Na   .41084 .10533    .5  .9 .0283
Ca   .41084 .10533    .5 .09 .0283
Be   .84477 .15523   .25     .0140
C     .6772  .1176    .5     .0176
O1   .72297 .13374 .7073     .0262
O2   .58599  .0851    .5     .0307
O3   .90044 .11618    .5 .08 .0134
O3H  .90044 .11618    .5 .92 .0134
H      .959   .124    .5 .92  .024
Wat   .4249  .2935    .5      .243
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Londonite
Download hom/londonite.pdf
Pekov I V, Yakubovich O V, Massa W, Chukanov N V, Kononkova N N,
Agakhanov A A, Karpenko V Y
 
The Canadian Mineralogist 48 (2010) 241-254
Londonite from the Urals, and new aspects of the crystal chemistry
of the rhodozite-londonite series,
Locality: Ministerskaya Yama Pit, Sarapulka pegmatite field, Russia
Note: sample FMM-32135
_database_code_amcsd 0006327
7.3149 7.3149 7.3149 90 90 90 P-43m
atom      x      y      z  occ  Uiso
Cs       .5     .5     .5 .553 .0146
K      .460   .460   .460 .083 .0146
Al   .85964 .85964 .85964      .0032
B        .5  .7482      0  .90 .0029
Be'      .5  .7482      0  .10 .0029
Be    .2415  .7585  .7585  .91 .0050
O1    .1185  .8815  .8815      .0040
O2    .5995 .86343 .86343      .0033
O3   .36488 .63512  .9004      .0040
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Cancrisilite
Download hom/cancrisilite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# u1631
Locality: Lovozero
_database_code_amcsd 0018867
12.584 12.584 5.101 90 90 120 P6_3mc
atom       x       y      z  occ   Uiso
Si   .079337 .412136    .75  .62 .00796
Al   .079337 .412136    .75  .38 .00796
O1    .20219 -.20219 .66167      .01749
O2    .44218 -.44218 .72436      .02156
O3    .03638  .35694 .05218      .01725
Na1      1/3     2/3  .6341 .822  .0348
Wat      1/3     2/3   .140  .22   .059
Wat'   .3811   .6905  .1913  .26  .0577
Na2'  .12384 -.12384  .3022  .49  .0248
Na2    .1219  -.1219   .263  .47  .0259
C1         0       0  .6524 .278  .0253
OC1   .05911   .1182  .6524 .278  .0335
C2         0       0  .9146 .274  .0248
OC2   .05926   .1185  .9146 .274  .0311
C3         0       0  .7820 .152  .0128
OC3    .0594   .1189  .7820 .152  .0162
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# Kovd15/1
Locality: Kovdor
_database_code_amcsd 0018868
12.683 12.683 5.190 90 90 120 P6_3
atom      x      y      z  occ   Uiso
Si1  .33005 .41291    .75      .00910
Al2  .07606 .41389 .75067  .89 .00924
Si2  .07606 .41389 .75067  .11 .00924
O1   .20288 .40452  .6721       .0187
O2   .11904 .56549  .7268       .0238
O3   .02646 .35346  .0548       .0194
O4   .32153 .36118  .0386       .0191
Na    .6667  .3333  .1270       .0346
Wat   .6980  .3874  .6897 .333  .0582
NaA  .13129 .26535  .2863  .81  .0522
KA   .13129 .26535  .2863  .05  .0522
C1        0      0   .679 .171   .039
OC1   .0540  .1141   .679 .171   .055
C2        0      0   .889 .169   .038
OC2   .0344  .1142   .889 .169   .080
C3        0      0   .516 .097   .024
OC3   .1005  .0051   .516 .097   .034
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# Kovd5
Locality: Kovdor
_database_code_amcsd 0018869
12.606 12.606 5.118 90 90 120 P6_3
atom       x       y      z  occ   Uiso
Si1  .328797 .411271    .75      .00758
Al2   .07557 .412385 .75065  .89 .00764
Si2   .07557 .412385 .75065  .11 .00764
O1    .20304  .40468 .65957      .01530
O2    .11582  .56377 .72443      .01919
O3    .03076  .35266 .06175      .01552
O4    .31616  .36021 .04513      .01569
Na     .6667   .3333  .1315       .0299
Wat    .6873   .3015  .6848 .333  .0562
NaA'   .1249   .2525  .2972  .62  .0254
CaA'   .1249   .2525  .2972  .02  .0254
NaA    .1194   .2418  .2627  .35  .0279
CaA    .1194   .2418  .2627  .01  .0279
C1         0       0   .644  .32   .036
OC1    .0575   .1180   .644  .32   .043
C2         0       0  .9054 .252  .0223
OC2    .0576   .1179  .9054 .252  .0317
C4         0       0   .758  .15   .010
OC4    .0570   .1171   .758  .15   .024
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# kir2343
Locality: Khibiny
_database_code_amcsd 0018870
12.607 12.607 5.111 90 90 120 P6_3
atom       x       y      z  occ   Uiso
Si1  .328823 .411280    .75      .00725
Al2   .07563  .41234 .75076  .90 .00719
Si2   .07563  .41234 .75076  .10 .00719
O1    .20311  .40467 .65898      .01472
O2    .11579  .56374  .7243      .01825
O3    .03099  .35279 .06220      .01511
O4    .31617  .36021 .04601      .01547
Na       2/3     1/3  .1308       .0299
Wat    .6143   .3129  .6849 .333  .0570
NaA'   .1236   .2504  .2992  .57  .0230
CaA'   .1236   .2504  .2992  .05  .0230
NaA    .1195   .2410  .2677  .34  .0259
CaA    .1195   .2410  .2677  .02  .0259
C1        .0      .0  .6399 .289  .0215
OC1    .0579   .1182  .6399 .289  .0233
C2        .0      .0  .9089 .251  .0146
OC2    .0580   .1178  .9089 .251  .0225
C4        .0      .0  .7583 .196  .0111
OC4    .0580   .1188  .7583 .196  .0175
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# tz3/1
Locality: Tamazeght
_database_code_amcsd 0018871
12.625 12.625 5.122 90 90 120 P6_3
atom      x      y     z  occ  Uiso
Si1  .32817 .41076   .75      .0099
Al2  .07537 .41230 .7511  .94 .0088
Si2  .07537 .41230 .7511  .06 .0088
O1    .2028  .4037 .6579      .0156
O2    .1132  .5635 .7283      .0221
O3    .0299  .3502 .0618      .0177
O4    .3141  .3564 .0443      .0177
Na      2/3    1/3 .1353 .845 .0370
Wat    .695  .3756  .684 .333  .061
NaA   .1230 .24943 .2944  .77 .0269
CaA   .1230 .24943 .2944  .20 .0269
C1        0      0  .669 .402  .040
OC1   .0559  .1178  .669 .402  .046
C2        0      0  .899 .365  .059
OC2    .059  .1194  .899 .365  .056
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# tz5/1
Locality: Tamazeght
_database_code_amcsd 0018872
12.618 12.618 5.144 90 90 120 P6_3
atom      x      y     z  occ   Uiso
Si1  .32849 .41087   .75      .00881
Al2  .07534 .41255 .7509  .92 .00886
Si2  .07534 .41255 .7509  .08 .00886
O1   .20368 .40528 .6629       .0159
O2   .11412 .56335 .7283       .0214
O3   .02878  .3506 .0582       .0171
O4   .31591  .3576 .0422       .0178
Na    .6667  .3333 .1311       .0422
Wat    .697   .378 .6905 .333   .073
NaA  .12555 .25371 .2955  .77  .0295
CaA  .12555 .25371 .2955  .15  .0295
C1        0      0  .644 .289   .019
OC1   .0575  .1178  .644 .289   .024
C2        0      0  .936 .272   .029
OC2   .0522  .1168  .936 .272   .067
C4        0      0  .762 .160   .016
OC4   .0589  .1170  .762 .160   .024
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# 11/1
Locality: Khibiny
_database_code_amcsd 0018873
12.618 12.618 5.116 90 90 120 P6_3
atom      x      y      z  occ   Uiso
Si1  .32841 .41111    .75      .00699
Al2  .07525 .41236 .75094  .93 .00723
Si2  .07525 .41236 .75094  .07 .00723
O1   .20317 .40479 .65897      .01388
O2   .11541 .56393  .7249      .01830
O3   .03040 .35195 .06234      .01469
O4   .31531 .35986 .04496      .01472
Na      2/3    1/3  .1323       .0288
Wat   .6157  .3146  .6852 .333  .0534
NaA'  .1248  .2525  .2996  .55  .0209
CaA'  .1248  .2525  .2996  .05  .0209
NaA   .1190  .2411   .276  .35  .0263
CaA   .1190  .2411   .276  .04  .0263
C1        0      0   .660 .225  .0177
OC1   .0577  .1187   .660 .225  .0163
C2        0      0  .9029 .247  .0198
OC2   .0577  .1185  .9029 .247  .0262
C3        0      0   .581 .092   .007
OC3   .0566  .1145   .581 .092   .016
C4        0      0  .7581 .172  .0108
OC4   .0567  .1186  .7581 .172  .0176
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# mmf28962
Locality: Ilmeny Mountains, southern Urals, Russia
_database_code_amcsd 0018874
12.617 12.617 5.129 90 90 120 P6_3
atom      x      y      z  occ   Uiso
Si1  .32795 .41047    .75      .00926
Al2  .07506 .41250 .75085  .97 .00954
Si2  .07506 .41250 .75085  .03 .00954
O1   .20308 .40495  .6581       .0166
O2   .11353 .56358  .7273       .0211
O3   .02942 .34970  .0598       .0174
O4   .31396 .35719  .0433       .0168
Na      2/3    1/3   .124 .705  .0343
Na'     2/3    1/3   .187  .18   .026
Wat   .6849  .3068  .6857 .333   .066
NaA  .12273 .24770  .2913  .64  .0253
CaA  .12273 .24770  .2913  .16  .0253
NaA'  .1320  .2699  .2998  .15   .038
CaA'  .1320  .2699  .2998  .04   .038
C1        0      0   .715 .211   .021
OC1   .0575  .1202   .715 .211   .022
C2        0      0   .944 .185   .011
OC2   .0575  .1165   .944 .185   .026
C3        0      0   .626 .225   .024
OC3   .0572  .1172   .626 .225   .024
C4        0      0   .844 .150   .006
OC4   .0587  .1192   .844 .150   .025
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# mmf62633/2
Locality: Dakhuunur
_database_code_amcsd 0018875
12.613 12.613 5.124 90 90 120 P6_3
atom      x      y     z  occ   Uiso
Si1  .32770 .41029   .75      .00911
Al2  .07504 .41252 .7511  .97 .00991
Si2  .07504 .41252 .7511  .03 .00991
O1   .20285 .40426 .6582       .0156
O2    .1127 .56339 .7281       .0204
O3   .02932  .3487 .0608       .0162
O4   .31292  .3565 .0430       .0161
Na      2/3    1/3 .1380 .815  .0382
Wat    .691  .3741  .679 .333   .061
NaA  .12252 .24759 .2959  .64  .0222
CaA  .12252 .24759 .2959  .25  .0222
NaA'  .1424  .2866  .288  .06  .0222
CaA'  .1424  .2866  .288  .02  .0222
C1        0      0 .6751 .432   .044
OC1   .0578  .1186 .6751 .432   .046
C2        0      0  .912 .373   .038
OC2   .0590  .1185  .912 .373   .044
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# ggm44331
Locality: Vishnevye Mountains
_database_code_amcsd 0018876
12.627 12.627 5.136 90 90 120 P6_3
atom      x      y     z  occ   Uiso
Si1  .32815 .41088   .75      .01027
Al2  .07515 .41252 .7510  .94 .01077
Si2  .07515 .41252 .7510  .06 .01077
O1   .20301 .40490 .6605       .0172
O2   .11441 .56360 .7266       .0219
O3   .02867 .34943 .0600       .0168
O4   .31430 .35775 .0427       .0177
Na      2/3    1/3 .1345       .0374
Wat    .686   .303 .6892 .333   .064
NaA   .1223  .2452 .2867  .44  .0241
CaA   .1223  .2452 .2867  .10  .0241
NaA'  .1269  .2601  .301  .39   .040
CaA'  .1269  .2601  .301  .07   .040
C1        0      0  .692  .19   .016
OC1   .0574  .1194  .692  .19   .010
C2        0      0  .935 .216   .012
OC2   .0603  .1155  .935 .216   .034
C3        0      0  .611  .21   .023
OC3   .0541  .1138  .611  .21   .034
C4        0      0  .810 .234   .018
OC4    .060   .123  .810 .234   .071
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Kottenheimite
 
Chukanov N V, Britvin S N, Van K V, Mockel S, Zadov A E
 
The Canadian Mineralogist 50 (2012) 55-63
Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group
from the Eifel area, Germany
Locality: Bellerberg, near Kottenheim, Eastern Eifel area,
Rhineland-Palatinate, Germany
_database_code_amcsd 0019043
11.1548 11.1548 10.5702 90 90 120 P6_3/m
atom     x      y     z occ Biso
Ca    .193 -.0124   .25      .14
Si       0      0     0      1.1
S      1/3    2/3     0 .91   .8
Wat1  .390  .2325   .25      1.1
Wat2  .137  -.254   .25      1.5
Wat3 .3333 -.0155 .4257       .6
OH4  .1353  .1278 .1030     1.00
O5     1/3    2/3 -.137 .86  7.9
O6   .1912  .6133 .0334 .99  5.3
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Vendidaite
 
Chukanov N V, Krivovichev S V, Chernyatieva A P
 
The Canadian Mineralogist 51 (2013) 559-568
Vendidaite, Al2(SO4)(OH)3Cl*6H2O, a new mineral from La Vendida copper mine,
Antofagasta region, Chile
Locality: La Vendida copper mine, Antofagasta region, Chile
_database_code_amcsd 0020045
11.9246 16.134 7.4573 90 125.815 90 C2/c
atom      x       y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Al   .31915 -.17116 .60126 .98 .01191  .0101 .01417  .0116 -.00024 .00643 -.00004
Fe3+ .31915 -.17116 .60126 .02 .01191  .0101 .01417  .0116 -.00024 .00643 -.00004
S         0  .10237    .25     .01429  .0134  .0174  .0127       0 .00799       0
Cl       .5  .06935    .75     .02098  .0224  .0212  .0231       0  .0154       0
Oh1  .35676 -.27909  .5655      .0148  .0108  .0166  .0176   .0004  .0086  -.0012
Ow2  .24890 -.06937  .6279      .0175  .0201  .0173  .0201   .0039  .0145   .0028
Ow3  .34579 -.19724  .8792      .0208  .0266  .0194  .0154  -.0007  .0117   .0004
Oh4      .5 -.13153    .75      .0156  .0122  .0138  .0185       0  .0077       0
O5   .03589  .15476  .4400      .0234  .0224  .0274  .0178  -.0039  .0104  -.0082
Ow6  .28253 -.12493  .3328      .0202  .0159  .0314  .0132  -.0028  .0084   .0031
O7   .11995  .05040  .3153      .0258  .0262  .0313  .0291   .0133  .0213   .0138
H1     .208  -.0315   .517       .055
H2     .388  -.2496   .948       .044
H3       .5   -.084    .75       .028
H4     .393  -.1671   .970       .054
H5     .201  -.1262   .206       .045
H6     .349   -.110   .321       .071
H7     .414  -.2935   .573       .058
H8     .207   -.069   .684       .065
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Wulffite
 
Pekov I V, Zubkova N V, Yapaskurt V O, Belakovskiy D I, Chukanov N V, Lykova I S,
Savelyev D P, Sidorov E G, Pushcharovsky D Y
 
The Canadian Mineralogist 52 (2014) 699-716
Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals
from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia
Locality: Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0020467
14.2810 4.9478 24.1127 90 90 90 Pn2_1a
atom      x     y      z   occ  Uiso
Na1   .7403 .0695  .3495       .0190
K1    .9644 .0111 .76325   .95 .0283
Rb1   .9644 .0111 .76325 .0267 .0283
Cs1   .9644 .0111 .76325 .0133 .0283
K2    .0705 .5784 .04241   .95 .0309
Rb2   .0705 .5784 .04241 .0267 .0309
Cs2   .0705 .5784 .04241 .0133 .0309
K3    .1210 .0950 .57395   .95 .0331
Rb3   .1210 .0950 .57395 .0267 .0331
Cs3   .1210 .0950 .57395 .0133 .0331
Cu1  .65321 .0531 .64271 .9975 .0143
Zn1  .65321 .0531 .64271  .005 .0143
Cu2  .76460 .5567 .69678 .9975 .0135
Zn2  .76460 .5567 .69678  .005 .0135
Cu3  .76073 .6130 .57822 .9975 .0135
Zn3  .76073 .6130 .57822  .005 .0135
Cu4  .85352 .1155 .62676 .9975 .0111
Zn4  .85352 .1155 .62676  .005 .0111
S1    .7301 .0632 .77288       .0157
S2    .7334 .0998 .50151       .0141
S3    .5170 .5521 .62741       .0145
S4    .9845 .6059 .64249       .0150
O1    .7669  .840  .6434        .013
O2    .7444  .337  .6320        .007
O3    .7300  .103  .8328        .019
O4    .7576  .395  .5098        .019
O5    .0850  .562  .6346        .025
O6    .5350  .260  .6403        .021
O7    .4217  .615  .6447        .035
O8    .9661  .901  .6294        .026
O9    .9296  .439  .6027        .020
O10   .6399  .099  .7466        .027
O11   .7641  .782  .7632        .019
O12   .7976  .254  .7474        .022
O13   .5813  .717  .6614        .023
O14   .6409  .045  .5233        .051
O15   .9526  .552  .6982        .039
O16   .7417  .043  .4437        .035
O17   .8025  .938  .5331        .026
O18   .5327  .596  .5688        .051
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Parawulffite
 
Pekov I V, Zubkova N V, Yapaskurt V O, Belakovskiy D I, Chukanov N V, Lykova I S,
Savelyev D P, Sidorov E G, Pushcharovsky D Y
 
The Canadian Mineralogist 52 (2014) 699-716
Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals
from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia
Locality: Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0020468
13.9043 4.9765 23.5855 90 90.209 90 P2/c
atom      x     y      z    occ  Uiso
Na1   .7445 .7423  .8508 .98333  .016
Na2      .0  .857    .25 .98333  .029
K1       .5 .7941    .25    .95  .025
Rb1      .5 .7941    .25    .05  .025
Cs1      .5 .7941    .25   .028  .025
K2    .3875 .2565  .5463    .95  .066
Rb2   .3875 .2565  .5463    .05  .066
Cs2   .3875 .2565  .5463   .028  .066
K3    .9256 .7842  .4356    .95  .085
Rb3   .9256 .7842  .4356    .05  .085
Cs3   .9256 .7842  .4356   .028  .085
Cu1   .2150 .2281 .41922 .99375 .0161
Zn1   .2150 .2281 .41922   .005 .0161
Cu2  .28352 .2730 .30366 .99375 .0104
Zn2  .28352 .2730 .30366   .005 .0104
Cu3  .35119 .7236 .38614 .99375 .0114
Zn3  .35119 .7236 .38614   .005 .0114
Cu4  .15409 .7840 .34538 .99375 .0099
Zn4  .15409 .7840 .34538   .005 .0099
S1    .2528 .7670  .2232        .0114
S2    .2272 .7429  .4983        .0132
S3    .4862 .2384  .3760        .0108
S4    .0134 .3017  .3544        .0105
O1    .2520  .737  .1629         .014
O2    .2956  .036  .2353         .011
O3    .3174  .565  .2492         .017
O4    .1581  .739  .2493         .014
O5    .1623  .901  .4625         .013
O6    .3257  .804  .4829         .023
O7    .2100  .813  .5577         .014
O8    .2094  .449  .4895         .014
O9    .4567  .292  .3189         .019
O10   .0351  .271  .4163         .018
O11   .9152  .232  .3408         .030
O12   .5852  .282  .3868         .020
O13   .4298  .401  .4161         .020
O14   .2650  .000  .3592         .009
O15   .2413  .503  .3667         .002
O16   .4683  .943  .3910         .014
O17   .0302  .584  .3367         .010
O18   .0815  .121  .3223         .019
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Isolueshite
 
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V
 
European Journal of Mineralogy 12 (2000) 597-607
Crystal structure of isolueshite and its synthetic compositional analogue
Sample: isolueshite
_database_code_amcsd 0006836
3.909 3.909 3.909 90 90 90 Pm-3m
atom    x   y   z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      0   0   0 .75 .0182  .0182  .0182  .0182      0      0      0
La      0   0   0 .19 .0182  .0182  .0182  .0182      0      0      0
Ca      0   0   0 .06 .0182  .0182  .0182  .0182      0      0      0
Nb    1/2 1/2 1/2  .5 .0134  .0134  .0134  .0134      0      0      0
Ti    1/2 1/2 1/2  .5 .0134  .0134  .0134  .0134      0      0      0
O    .579   0 1/2 .25  .029   .025   .012   .050      0      0      0
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Isolueshite
 
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V
 
European Journal of Mineralogy 12 (2000) 597-607
Crystal structure of isolueshite and its synthetic compositional analogue
Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3
_database_code_amcsd 0006837
7.7842 7.8033 7.7828 90 90 90 Cmcm
atom    x    y    z occ Biso
NaA1    0 .002  1/4 .75 1.47
LaA1    0 .002  1/4 .25 1.47
NaA2    0 .499  1/4 .75 1.47
LaA2    0 .499  1/4 .25 1.47
NbB   1/4  1/4    0  .5 1.42
TiB   1/4  1/4    0  .5 1.42
O1   .215    0    0      2.7
O2      0 .232 .005      1.7
O3   .298 .237  1/4       .6
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Sphaerobertrandite
 
Pekov I V, Chukanov N V, Larsen A O, Merlino S, Pasero M, Pushcharovsky D Y,
Ivaldi G, Zadov A E, Grishin V G, Asheim A, Tafto J, Chistyakova N I
 
European Journal of Mineralogy 15 (2003) 157-166
Sphaerobertrandite, Be3SiO4(OH)2: new data, crystal structure and genesis
_database_code_amcsd 0006960
5.082 4.640 17.696 90 106.13 90 P2_1/c
atom     x     y     z  Uiso
Be1   .290  .416 .1198  .006
Be2   .629  .089 .9604  .007
Be3   .110  .917 .2924  .006
Si   .0274 .4195 .3755 .0073
O1    .023  .574 .1430  .008
O2    .045  .571 .2933  .008
O3    .228  .069 .0990  .001
O4    .697  .974 .0540  .008
OH5   .307  .575 .0413  .011
OH6   .557  .465 .1939  .013
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Shirokshinite
 
Pekov I V, Chukanov N V, Ferraris G, Ivaldi G, Pushcharovsky D Y, Zadov A E
 
European Journal of Mineralogy 15 (2003) 447-454
Shirokshinite, K(NaMg2)Si4O10F2, a new mica with octahedral Na from Khidiny massif,
Kola Peninsula: descriptive data and structural disorder
Locality: Khidiny massif, Kola Peninsula, Russia
_database_code_amcsd 0006989
5.269 9.092 10.197 90 100.12 90 C2/m
atom     x     y     z   occ Uiso
K        0   1/2     0    .9 .035
Na       0   1/2     0   .02 .035
NaM1     0     0   1/2  .307 .013
MgM1     0     0   1/2  .657 .013
FeM1     0     0   1/2   .03 .013
MnM1     0     0   1/2 .0033 .013
TiM1     0     0   1/2 .0033 .013
NaM2     0 .3338   1/2  .307 .019
MgM2     0 .3338   1/2  .657 .019
FeM2     0 .3338   1/2   .03 .019
MnM2     0 .3338   1/2 .0033 .019
TiM2     0 .3338   1/2 .0033 .019
Si   .0762 .1667 .2261  .995 .015
Al   .0762 .1667 .2261  .005 .015
O1    .048     0  .164       .024
O2    .308 .2471 .1636       .024
O3    .132 .1678 .3849       .019
F     .124   1/2 .3897       .039
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Larisaite
 
Chukanov N V, Pushcharovsky D Y, Pasero M, Merlino S, Barinova A V,
Mockel S, Pekov I V, Zadov A E, Dubinchuk V T
 
European Journal of Mineralogy 16 (2004) 367-374
Larisaite, Na(H3O)(UO2)3(SeO3)2O2*4H2O, a new uranyl selenite mineral
from Repete mine, San Juan County, Utah, U.S.A.
Locality: Repete mine, San Juan County, Utah, USA
_database_code_amcsd 0007065
6.981 7.646 17.249 90 90 90.039 Pm
atom     x      y     z occ Uiso
Na    .442   .083  .878  .6  .21
K      .74   -.11    .5 .15  .34
U1   .9547  .5586     0     .069
U2   .4549 -.5575    .5     .090
U3   .4572  .5641 .8934     .073
U4   .9572 -.5651 .3933     .087
Se1  .9470  .6047 .7998     .088
Se2  .4485 -.6078 .2994     .076
O1    .139   .624  .859     .105
O2    .639  -.622  .359     .094
O3    .992   .437  .742     .104
O4    .489  -.430  .243     .099
O5    .797   .533  .867     .101
O6    .296  -.521  .366     .109
O7    .642   .528     0     .119
O8    .148  -.515    .5     .115
O9    .268   .592     0     .098
O10   .772  -.586    .5     .116
O11   .980   .322     0     .073
O12   .480  -.321    .5     .068
O13   .422   .328  .888     .100
O14   .930  -.330  .387     .064
O15   .926   .794     0     .100
O16   .413  -.792    .5     .120
O17   .494   .797  .893     .100
O18   .999  -.799  .389     .119
Wat1  .795   .100  .812      .26
H1    .795   .100  .812  .2  .26
Wat2  .285  -.109  .317      .20
H2    .285  -.109  .317  .2  .20
Wat3  .660   .064     0      .10
H3    .660   .064     0  .2  .10
Wat4  .178  -.064    .5      .10
H4    .178  -.064    .5  .2  .10
Wat5  .168   .044  .816      .28
H5    .168   .044  .816  .2  .28
Wat6  .688  -.046  .322      .23
H6    .688  -.046  .322  .2  .23
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Gjerdingenite-Mn
 
Raade G, Chukanov N V, Kolitsch U, Mockel S, Zadov A E, Pekov I V
 
European Journal of Mineralogy 16 (2004) 979-987
Gjerdingenite-Mn from Norway - a new mineral species
in the labuntsovite group: descriptive data and crystal structure
Locality: Gjerdingselva, Lunner, Oppland, Oslo Region, Norway
_database_code_amcsd 0007086
14.563 13.961 7.851 90 117.62 90 C2/m
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
WatB  .4336  .0000  .731       .100   .058   .156   .095      0   .043      0
KB'      .5  .8285     0  .72  .090   .060   .134   .073      0   .027      0
WatB'    .5  .8285     0  .28  .090   .060   .134   .073      0   .027      0
WatC  .0870      0 .3353       .035   .044   .027   .037      0   .022      0
MnD       0      0    .5 .831 .0197   .021   .019   .016      0  .0060      0
MnD'  .2510      0  .501 .091  .017
Nb1       0 .76495    .5 .547 .0321  .0266  .0205  .0284      0 -.0051      0
Ti1       0 .76495    .5 .453 .0321  .0266  .0205  .0284      0 -.0051      0
Nb2     .75    .75    .5 .707 .0357  .0639  .0275  .0313  .0062  .0355  .0035
Ti2     .75    .75    .5 .293 .0357  .0639  .0275  .0313  .0062  .0355  .0035
Si1   .2055  .1088 .7984      .0185  .0235  .0107  .0204  .0007  .0093  .0017
Si2   .6854  .8904 .7573      .0183  .0222  .0103  .0217 -.0007  .0095 -.0003
OH1   .9018  .7669 .6081      .0231   .019   .031   .013   .001   .002   .002
O2    .9181  .8810 .3351      .0285   .024   .028   .031  -.003   .011  -.001
O3    .2585  .8716 .3740      .0290   .029   .028   .034   .000   .017   .001
O4    .2707  .8205 .7307      .0259   .026   .027   .028   .001   .015   .000
O5    .4153  .8215 .3032      .0286   .027   .029   .033   .010   .017   .014
O6    .3563      0 .2678       .033   .037   .017   .051      0   .027      0
O7    .2326  .8718 .0195      .0310   .042   .027   .021   .002   .011   .001
O8    .2411      0 .7822       .031   .034   .019   .042      0   .018      0
Wat       0   .134     0       .117    .14    .18   .038      0   .039      0
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Biraite-(Ce)
 
Konev A, Pasero M, Pushcharovsky D, Merlino S, Kashaev A, Suvorova L,
Ushchapovskaya Z, Nartova N, Lebedeva Y, Chukanov N
 
European Journal of Mineralogy 17 (2005) 715-721
Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia
with a novel structure type
Locality: Biraia deposit, Irkutsk district, Siberia, Russia
_database_code_amcsd 0007129
6.505 6.744 18.561 90 108.75 90 P2_1/c
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ce1  .32745 .28119 .23623  .50 .01034 .01036 .00896 .01289  .00082 .00541  .00017
La1  .32745 .28119 .23623  .28 .01034 .01036 .00896 .01289  .00082 .00541  .00017
Nd1  .32745 .28119 .23623  .12 .01034 .01036 .00896 .01289  .00082 .00541  .00017
Pr1  .32745 .28119 .23623  .04 .01034 .01036 .00896 .01289  .00082 .00541  .00017
Sm1  .32745 .28119 .23623  .01 .01034 .01036 .00896 .01289  .00082 .00541  .00017
Ca1  .32745 .28119 .23623  .03 .01034 .01036 .00896 .01289  .00082 .00541  .00017
Na1  .32745 .28119 .23623  .01 .01034 .01036 .00896 .01289  .00082 .00541  .00017
Ce2  .88569 .86796 .07651  .50 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113
La2  .88569 .86796 .07651  .28 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113
Nd2  .88569 .86796 .07651  .12 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113
Pr2  .88569 .86796 .07651  .04 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113
Sm2  .88569 .86796 .07651  .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113
Ca2  .88569 .86796 .07651  .03 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113
Na2  .88569 .86796 .07651  .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113
FeM1 .43356  .5055 .07776 .670  .0193  .0136  .0327  .0117  -.0047  .0041  -.0010
MnM1 .43356  .5055 .07776  .11  .0193  .0136  .0327  .0117  -.0047  .0041  -.0010
TiM1 .43356  .5055 .07776  .01  .0193  .0136  .0327  .0117  -.0047  .0041  -.0010
MgM1 .43356  .5055 .07776 .210  .0193  .0136  .0327  .0117  -.0047  .0041  -.0010
C     .4041  .9858  .0996       .0128   .010   .014   .015   .0024  .0041   .0012
Si1   .9237  .3573  .0726       .0101  .0113  .0095  .0093   .0004  .0034   .0001
Si2   .8056  .2869  .2186       .0088  .0075  .0094  .0096  -.0005  .0031   .0001
O1    .4221  .1286  .0566  .98  .0201   .020   .025   .015  -.0023  .0052   .0041
F1    .4221  .1286  .0566  .02  .0201   .020   .025   .015  -.0023  .0052   .0041
O2    .2683 -.0092  .1372  .98  .0151  .0106   .021  .0144  -.0016  .0055  -.0022
F2    .2683 -.0092  .1372  .02  .0151  .0106   .021  .0144  -.0016  .0055  -.0022
O3    .5324  .8306  .1091  .98  .0175   .015   .019   .017   .0046  .0041  -.0003
F3    .5324  .8306  .1091  .02  .0175   .015   .019   .017   .0046  .0041  -.0003
O4    .9131  .1870  .0112  .98  .0138   .017  .0151  .0097  -.0007  .0048  -.0017
F4    .9131  .1870  .0112  .02  .0138   .017  .0151  .0097  -.0007  .0048  -.0017
O5    .1538  .4699  .1064  .98  .0195   .019   .023   .015  -.0089  .0044  -.0027
F5    .1538  .4699  .1064  .02  .0195   .019   .023   .015  -.0089  .0044  -.0027
O6    .7266  .5163  .0425  .98  .0155   .016   .015   .016   .0050  .0056   .0030
F6    .7266  .5163  .0425  .02  .0155   .016   .015   .016   .0050  .0056   .0030
O7    .8960  .2275  .1464  .98  .0122   .017  .0123  .0103   .0029  .0083   .0017
F7    .8960  .2275  .1464  .02  .0122   .017  .0123  .0103   .0029  .0083   .0017
O8    .6591  .1164  .2365  .98  .0119  .0102  .0101  .0164  -.0008  .0057   .0015
F8    .6591  .1164  .2365  .02  .0119  .0102  .0101  .0164  -.0008  .0057   .0015
O9    .0266  .3266  .2874  .98  .0135  .0097   .020  .0108  -.0018  .0036  -.0037
F9    .0266  .3266  .2874  .02  .0135  .0097   .020  .0108  -.0018  .0036  -.0037
O10   .6369  .4708  .1914  .98  .0132   .016  .0107  .0137   .0038  .0054   .0012
F10   .6369  .4708  .1914  .02  .0132   .016  .0107  .0137   .0038  .0054   .0012
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Fluorcalciobritholite
 
Pekov I V, Pasero M, Yaskovskaya A N, Chukanov N V, Pushcharovsky D Y,
Merlino S, Zubkova N V, Kononkova N N, Men'shikov Y P, Zadov A E
 
European Journal of Mineralogy 19 (2007) 95-103
Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and
crystal chemistry
Locality: Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia
_database_code_amcsd 0007198
9.580 9.580 6.985 90 90 120 P6_3/m
atom     x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1    1/3   2/3 .0006 .654 .0311  .0367  .0367  .0200  .0183      0      0
Ce1    1/3   2/3 .0006 .161 .0311  .0367  .0367  .0200  .0183      0      0
La1    1/3   2/3 .0006 .094 .0311  .0367  .0367  .0200  .0183      0      0
Nd1    1/3   2/3 .0006 .045 .0311  .0367  .0367  .0200  .0183      0      0
Y1     1/3   2/3 .0006 .031 .0311  .0367  .0367  .0200  .0183      0      0
Pr1    1/3   2/3 .0006 .014 .0311  .0367  .0367  .0200  .0183      0      0
Ca2  .2487 .0107   .25 .566 .0330  .0366  .0310  .0258  .0126      0      0
Ce2  .2487 .0107   .25 .203 .0330  .0366  .0310  .0258  .0126      0      0
La2  .2487 .0107   .25 .118 .0330  .0366  .0310  .0258  .0126      0      0
Nd2  .2487 .0107   .25 .057 .0330  .0366  .0310  .0258  .0126      0      0
Y2   .2487 .0107   .25 .039 .0330  .0366  .0310  .0258  .0126      0      0
Pr2  .2487 .0107   .25 .017 .0330  .0366  .0310  .0258  .0126      0      0
Si   .3718 .4001   .25 .650 .0261   .028   .031   .022   .017      0      0
P    .3718 .4001   .25 .350 .0261   .028   .031   .022   .017      0      0
O1   .4677 .5906   .25       .043   .037   .032   .056   .014      0      0
O2   .4866 .3255   .25       .037   .036   .057   .030   .032      0      0
O3   .2563 .3432 .4310       .054   .048   .098   .034   .049   .013   .028
F        0     0   .25       .092   .058   .058   .159   .029      0      0
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Surkhobite
 
Rastsvetaeva R K, Eskova E M, Dusmatov V D, Chukanov N V, Schneider F
 
European Journal of Mineralogy 20 (2008) 289-295
Surkhobite: revalidation and redefinition with the new formula,
(Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6
Locality: massif Darai-Pioz, Tajikistan
_database_code_amcsd 0007261
10.723 13.826 20.791 90 95.00 90 C2
atom         x     y     z   occ  Uiso
Ba1          0 .0265     0   .75 .0093
KBa1         0 .0265     0   .25 .0093
Ba2      .7508 .7726 .5009   .75 .0199
KBa2     .7508 .7726 .5009   .25 .0199
K            0 .5672     0   .55 .0230
BaK          0 .5672     0    .3 .0230
Na1          0 .5301    .5        .027
Na2          0  .031    .5        .024
Ca       .2508 .7749 .0006   .80 .0161
NaCa     .2508 .7749 .0006   .15 .0161
SrCa     .2508 .7749 .0006   .05 .0161
Fe1      .8768 .5248 .2557       .0115
Fe2      .1224 .6514 .2478       .0116
Fe3      .8748 .7770 .2439       .0115
Mn,Fe1   .8744 .0250 .2543  .545 .0117
FeMn,Fe1 .8744 .0250 .2543  .455 .0117
Mn,Fe2   .1231 .3986 .2492  .545 .0138
FeMn,Fe2 .1231 .3986 .2492  .455 .0138
Mn1      .8751 .2733 .2441       .0111
Mn2      .1250 .9017 .2458       .0121
Mn3      .1239 .1502 .2467       .0099
Ti1      .7334 .0437 .3998       .0154
Ti2      .7333 .5446 .3985       .0139
Ti3      .0166 .2554 .1008 .7925 .0077
NbTi3    .0166 .2554 .1008 .1425 .0077
ZrTi3    .0166 .2554 .1008  .025 .0077
Ti4      .0161 .7942 .1007 .7925 .0112
NbTi4    .0161 .7942 .1007 .1425 .0112
ZrTi4    .0161 .7942 .1007  .025 .0112
Si1      .9796 .1655 .3810       .0121
Si2      .9822 .6662 .3808       .0130
Si3      .2575 .4177 .1194       .0086
Si4      .2842 .9170 .1192       .0081
Si5      .2836 .1344 .1201       .0098
Si6      .2562 .6341 .1191       .0120
Si7      .9806 .3837 .3806       .0117
Si8      .9811 .8851 .3798       .0122
O1       .9647 .3914 .3064        .013
O2       .2794 .4021 .1974        .007
O3       .9638 .1565 .3030        .009
O4       .2771 .6441 .1987        .013
O5       .2900 .1473 .1970        .012
O6       .1403 .9015 .0873        .009
O7       .3842 .4007 .0829        .005
O8       .9669 .6573 .3008        .012
O9       .2880 .9013 .1994        .010
O10      .9615 .8956 .3040        .019
O11      .3764 .2044 .0843        .006
O12      .7195  .025 .3146        .025
O13      .0295 .7894 .1865        .005
O14      .1519 .7067 .0877        .009
O15      .0275 .2672 .1922        .017
O16      .7205  .523 .3129        .014
O17      .3255 .0210 .1013        .004
O18      .8632 .6393 .4121        .030
O19      .6007 .9525 .4145        .026
O20      .1085 .6500 .4132        .024
O21      .8617  .912 .4136        .044
O22      .3815 .8458 .0877        .013
O23      .8724  .101 .4140        .039
O24      .1092 .1517 .4108        .019
O25      .6009 .4511 .4135        .022
O26      .1462 .3491 .0851        .008
O27      .1393 .1511 .0860        .011
O28      .8695 .4508 .4118        .026
O29      .2073 .5265 .0991        .012
O30       .036  .278 .3922        .064
O31       .042 .7769 .4011        .024
O32      .3917 .6493 .0901        .009
OH1      .0350 .5284 .2092        .015
OH2          0 .2559     0        .011
OH3          0 .8053     0       .0067
F1       .0321 .0159 .2056 .6862  .012
OF1      .0321 .0159 .2056 .3138  .012
F2       .2097 .7795 .2956 .6862  .013
OF2      .2097 .7795 .2956 .3138  .013
F3       .7402 .0069 .5006 .6862  .014
OF3      .7402 .0069 .5006 .3138  .014
F4       .7087 .7767 .2916 .6862  .016
OF4      .7087 .7767 .2916 .3138  .016
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Balliranoite
Download hom/balliranoite.pdf
Chukanov N V, Zubkova N V, Pekov I V, Olysych L V, Bonaccorsi E,
Pushcharovsky D Y
 
European Journal of Mineralogy 22 (2010) 113-119
Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral
from Monte Somma - Vesuvio volcanic complex, Italy
Locality: Monte Somma, Italy
_database_code_amcsd 0007335
12.695 12.695 5.325 90 90 120 P6_3
atom       x      y      z  occ   Uiso
NaM    .1181  .2424  .2786 .581  .0560
CaM    .1181  .2424  .2786 .060  .0560
KM     .1181  .2424  .2786 .089  .0560
NaM'   .1537  .3136  .2744 .215   .073
CaM'   .1537  .3136  .2744 .022   .073
KM'    .1537  .3136  .2744 .033   .073
Ca       2/3    1/3 .21614       .0230
Si    .32774 .40839  .7500      .00996
Al    .06985 .40885 .75030      .01012
O(1)  .21314 .42747  .7131       .0250
O(2)  .09954 .55634  .7423       .0193
O(3)  .00565 .32843  .0267       .0232
O(4)  .31568 .33819  .0107       .0217
Cl       1/3    2/3  .2176  .58   .082
Cl      .311  .6326   .222  .14   .062
S          0      0   .247  .15  .0416
O(S1)      0      0   .952  .15   .046
O(S2)   .064   .119   .387  .15   .121
C(1)       0      0  .1496  .30   .048
O(C1)  .1152  .0606  .1496  .30  .0504
C(2)       0      0   .333  .15   .011
O(C2)  .1152   .059   .333  .15   .106
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Langbanshyttanite
 
Chukanov N V, Pekov I V, Johsson E, Zubkova N V, Filinchuk Y E,
Belakovskiy D I, Pushcharovsky D Y
 
European Journal of Mineralogy 23 (2011) 675-681
Langbanshyttanite, a new low-temperature arsenate mineral with a
novel structure from Langban, Sweden
Locality: Langban, Sweden
_database_code_amcsd 0018642
5.0528 5.7671 14.617 85.656 82.029 88.728 P-1
atom     x     y     z Uiso
Pb   .0769 .2864 .3031 .024
Mn   -.018  .246 .5543 .010
Mg       0    .5     0 .005
As    .415  .211 .7167 .006
O1    .174  .346  .668 .010
O2    .699  .088  .675 .010
OH3   .225  .410  .432 .010
OH4   .190 -.085  .564 .010
Wat5  .114  .724  .096  .01
Wat6   .28  .230  .034  .02
Wat7   .30  .661 -.099  .05
O8    .206 -.004  .787 .010
O9     .56  .406  .789  .02
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Windhoekite
 
Chukanov N V, Britvin S N, Blass G, Belakovskiy D I, Van K V
 
European Journal of Mineralogy 24 (2012) 171-179
Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral
from the Aris phonolite, Namibia
Note: the chemical formula for this mineral cannot be obtained from the
crystal structure. The structure is missing two oxygens, and
the OH positions were not given.
Locality: Aris phonolite, Namibia
_database_code_amcsd 0018919
14.319 17.825 5.242 90 103.5 90 C2/m
atom       x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaM3      .5 .3130     0 .62  .057   .063   .067   .043      0   .019      0
Mn2+M3    .5 .3130     0 .04  .057   .063   .067   .043      0   .019      0
CaM4      .5 .2300    .5 .37  .053   .065   .045   .050      0   .016      0
Mn2+M4    .5 .2300    .5 .03  .053   .065   .045   .050      0   .016      0
Fe3+M1    .5    .5     0     .0294   .050   .024   .018      0   .015      0
Fe3+M2    .5 .4126    .5 .88 .0301   .051   .023   .022      0   .019      0
Si1    .3001 .4162 .0314     .0222   .045   .010   .016 -.0034   .015 -.0011
Si2    .2987 .3313 .5262     .0272   .053   .010   .024 -.0030   .020 -.0001
O1     .4180 .4167 .1144      .026   .044   .012   .025  -.007   .016  -.002
O2     .4154 .3308 .5910      .036   .052   .023   .037  -.001   .017  -.003
O3       .25   .25    .5      .041   .092   .009   .029  -.017   .026   .005
O4     .5685    .5 .3644      .033   .043   .033   .033      0   .028      0
O5     .2576    .5 .0015      .031   .057   .008   .031      0   .019      0
O6     .2566 .3735 .2495      .031   .061   .018   .019  -.001   .022   .006
O7     .2598 .3745  .755      .032   .057   .009   .035  -.009   .023  -.006
Wat1    .106    .5  .361       .26    .27    .27    .33      0    .24      0
Wat2   .4064 .2302  .107      .132    .17    .12    .13   .019   .083   -.01
Wat3    .487  .106  .698       .87
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Lileyite
 
Chukanov N V, Pekov I V, Rastsvetaeva R K, Aksenov S M,
Zadov A E, Van K V, Blass G, Schuller W, Ternes B
 
European Journal of Mineralogy 24 (2012) 181-188
Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group
mineral from the Eifel volcanic area, Germany
Locality:Lohley quarry, Rhineland-Palatinate, Germany
_database_code_amcsd 0018776
19.905 7.098 5.405 90 96.349 90 C2/m
atom     x     y     z occ  U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Ba   .2827     0 .2623 .75  .01464 .00940 .00941      0 .00095       0
K    .2827     0 .2623 .15  .01464 .00940 .00941      0 .00095       0
Sr   .2827     0 .2623  .1  .01464 .00940 .00941      0 .00095       0
Na1      0     0     0       .0113  .0092  .0080      0  .0048       0
Na2      0 .2594    .5 .45   .0192  .0174  .0144      0  .0049       0
Ca2      0 .2594    .5  .2   .0192  .0174  .0144      0  .0049       0
Fe2      0 .2594    .5 .25   .0192  .0174  .0144      0  .0049       0
Mn2      0 .2594    .5  .1   .0192  .0174  .0144      0  .0049       0
Mg       0    .5     0  .8   .0113  .0016  .0151      0 -.0110       0
Fe       0    .5     0  .1   .0113  .0016  .0151      0 -.0110       0
Ti       0    .5     0  .1   .0113  .0016  .0151      0 -.0110       0
Ti   .1458     0 .7068 .95  .00979 .00761 .00630      0 .00066       0
Nb   .1458     0 .7068 .05  .00979 .00761 .00630      0 .00066       0
Si   .1386 .2819 .2041      .00874 .00533 .00624 .00007 .00052 -.00028
O1   .1713 .1889 .4657       .0164  .0082  .0074 -.0005  .0008   .0019
O2   .1715 .1876 .9714       .0168  .0078  .0084 -.0001  .0023  -.0025
O3   .1696    .5 .2164       .0137  .0049  .0107      0  .0006       0
O4   .0579 .2867 .1735       .0085  .0152  .0196  .0002 -.0004  -.0016
O5   .0604     0 .6671       .0118  .0343  .0134      0  .0004       0
F    .4443     0 .2848  .8   .0221  .0321  .0241      0  .0054       0
OF   .4443     0 .2848  .2   .0221  .0321  .0241      0  .0054       0
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Rauchite
 
Pekov I V, Levitskiy V V, Krivovichev S V, Zolotarev A A, Bryzgalov I A,
Zadov A E, Chukanov N V
 
European Journal of Mineralogy 24 (2012) 913-922
New nickel-uranium-arsenic mineral species from the oxidation zone of
the Belorechenskoye deposit, Northern Caucasus, Russia: I.
Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group
Locality: Belorechenskoye deposit, Northern Caucasus, Russia
_database_code_amcsd 0019394
7.100 7.125 19.955 92.406 94.924 90.420 I-1
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    .76232 .75189 .54532     .0133  .0025  .0080  .0294  .0011  .0006  .0027
As    .7494  .2478 .50112 .89 .0122  .0029  .0076  .0266  .0015  .0016  .0036
P     .7494  .2478 .50112 .11 .0122  .0029  .0076  .0266  .0015  .0016  .0036
Ni      .25   -.25    .25 .69  .028   .034   .033   .018   .007   .003  -.002
Mg      .25   -.25    .25 .31  .028   .034   .033   .018   .007   .003  -.002
O1     .717   .072  .5501      .020
O2     .737   .734  .4575      .017
O3     .808   .432  .5530      .017
O4     .785   .764  .6337      .012
O5     .550   .293  .4507      .022
O6     .080   .801  .5490      .018
Wat1   .337  -.522  .2555      .045
Wat2   .461  -.186  .1830      .043
Wat3   .059  -.318  .1700      .048
Wat4   .794  -.010  .3301      .048
Wat5  -.179   .087   .175      .094
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Dymkovite
 
Pekov I V, Levitskiy V V, Krivovichev S V, Zolotarev A A, Chukanov N V,
Bryzgalov I A, Zadov A E
 
European Journal of Mineralogy 24 (2012) 923-930
New nickel-uranium-arsenic mineral species from the oxidation zone of
the Belorechenskoye deposit, Northern Caucasus, Russia: II.
Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite
Locality: Belorechenskoye deposit, Northern Caucasus, Russia
_database_code_amcsd 0019395
17.91 6.985 6.594 90 99.89 90 C2/m
atom      x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    .24091     0 .12781     .0338  .0546  .0170  .0326      0  .0157      0
As   .20792    .5  .3255     .0425  .0579  .0382  .0347      0  .0174      0
Ni        0     0     .5 .60  .049   .039   .046   .064      0   .011      0
Mg        0     0     .5 .40  .049   .039   .046   .064      0   .011      0
O1    .3415     0   .212      .051   .039   .046   .064      0   .011      0
O2    .1415     0   .044      .047   .052   .048   .052      0   .010      0
O3    .2225     0  .4596      .043   .053   .035   .055      0   .011      0
O4    .2407 .6738  .1790      .050   .050   .041   .038   .000   .010   .000
Wat1  .0906  .181   .521  .5  .066
Wat2 -.0218  .139   .743  .5  .104
Wat3   .060  .198   .692  .5  .160
Wat4      0    .5   .185  .5  .132
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Laachite
 
Chukanov N V, Krivovichev S V, Pakhomova A S,Pekov I V,Schafer C, Vigasina M F, Van K V
 
European Journal of Mineralogy 26 (2011) 103-111
Laachite, (Ca,Mn)2Zr2Nb2TiFeO14, a new zirconolite-related mineral from the Eifel
volcanic region, Germany
Locality: Laach Lake volcano, Eifel region, Germany
_database_code_amcsd 0020511
7.3119 14.1790 10.1700 90 90.072 90 C2/c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Nb1        0 .383135     .25 .44 .00738 .00932 .00521 .00759       0 -.00081       0
Ti1        0 .383135     .25 .40 .00738 .00932 .00521 .00759       0 -.00081       0
Al1        0 .383135     .25 .16 .00738 .00932 .00521 .00759       0 -.00081       0
Nb2     -.25     .75       0 .82 .01035 .01232 .00973 .00900  .00234 -.00182  .00080
Ti2     -.25     .75       0 .18 .01035 .01232 .00973 .00900  .00234 -.00182  .00080
Ti3        0 .882243     .25 .72 .01061 .01009 .01288 .00887       0  .00096       0
Nb3        0 .882243     .25 .28 .01061 .01009 .01288 .00887       0  .00096       0
Ca1      -.5 .631560     .25 .28 .00655 .00549 .00928 .00488       0  .00079       0
Mn1      -.5 .631560     .25 .26 .00655 .00549 .00928 .00488       0  .00079       0
Ce1      -.5 .631560     .25 .16 .00655 .00549 .00928 .00488       0  .00079       0
La1      -.5 .631560     .25 .05 .00655 .00549 .00928 .00488       0  .00079       0
Nd1      -.5 .631560     .25 .05 .00655 .00549 .00928 .00488       0  .00079       0
Th1      -.5 .631560     .25 .14 .00655 .00549 .00928 .00488       0  .00079       0
Y1       -.5 .631560     .25 .06 .00655 .00549 .00928 .00488       0  .00079       0
Ca2        0 .632491     .25 .32 .00837 .00822 .00897 .00793       0 -.00015       0
Mn2        0 .632491     .25 .28 .00837 .00822 .00897 .00793       0 -.00015       0
Ce2        0 .632491     .25 .14 .00837 .00822 .00897 .00793       0 -.00015       0
La2        0 .632491     .25 .05 .00837 .00822 .00897 .00793       0 -.00015       0
Nd2        0 .632491     .25 .05 .00837 .00822 .00897 .00793       0 -.00015       0
Th2        0 .632491     .25 .14 .00837 .00822 .00897 .00793       0 -.00015       0
Y2         0 .632491     .25 .02 .00837 .00822 .00897 .00793       0 -.00015       0
Zr1  -.24980 .483043 .013914 .78 .00988 .01276 .00724 .00963  .00042 -.00252 -.00205
Mn3  -.24980 .483043 .013914 .22 .00988 .01276 .00724 .00963  .00042 -.00252 -.00205
Fe1  -.29920  .24390 -.00901 .34 .05016 .07151 .03084 .04804 -.02850 -.02959  .02942
Mn4  -.29920  .24390 -.00901 .10 .05016 .07151 .03084 .04804 -.02850 -.02959  .02942
Y3   -.29920  .24390 -.00901 .06 .05016 .07151 .03084 .04804 -.02850 -.02959  .02942
O1   -.25248  .62075  .08905     .00894 .00992 .00591 .01099  -.0029   .0026 -.00178
O2   -.03977  .98257  .12119     .01297 .01948 .00731 .01210  .00180 -.01300  .00010
O3    .03600  .48118  .11947     .01699 .00330 .01059 .00741  .00126 -.00825  .00333
O4    -.2521  .13947  .10165     .01282 .01320 .01238 .01289  -.0006  -.0001 -.00182
O5   -.05679  .78155  .12714     .01263 .02337 .00358 .01089 -.00462 -.00944  .00101
O6    .05878  .28280  .12530     .01353 .01441  .0171 .00911  .00008  .00200 -.00385
O7   -.24932  .38714  .17805     .01417 .00880 .01885 .01486   .0003  -.0044  .00629
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Whitecapsite
 
Pekov I V, Zubkova N V, Gottlicher J, Yapaskurt V O, Chukanov N V, Lykova I S,
Belakovskiy D I, Jensen M C, Leising J F, Nikischer A J, Pushcharovsky D Y
 
European Journal of Mineralogy 26 (2014) 577-587
Whitecapsite, a new hydrous iron and trivalent antimony arsenate mineral from
the White Caps mine, Nevada, USA
Note: Not all H atoms could be located
Locality: White Caps gold deposit, Manhattan district, Nye County, Nevada, USA
_database_code_amcsd 0020491
16.0916 16.0916 21.7127 90 90 120 P6_3/m
atom       x      y       z  occ  Uiso
Sb    .86130 .53517     .25      .0248
Fe1    .6667  .3333     .25      .0172
Fe2   .65449 .44039  .36665      .0205
Fe3    .9031  .6453 -.06725 .418 .0274
As1   .90567 .31548     .25      .0237
As2   .86883 .56078  .08257      .0218
O1     .6667  .3333   .4062       .017
O2     .7540  .5413   .0829      .0246
O3     .7570  .4366  .30924      .0158
O4     .8932  .3705   .1880      .0286
O5     .8644  .4530   .0794      .0250
O6     .8174  .1981     .25      .0238
Wat7   .7646  .5263  -.0702      .0486
O8     .9240  .6178   .1482      .0306
Wat9   .0471  .7610  -.0735      .0398
O10    .9291  .6240   .0213      .0286
Wat11  .8835  .6768  -.1569       .053
O12    .0104  .3197     .25       .045
Wat13  .9525  .5558  -.1022      .0410
Wat14  .8540  .7398  -.0435       .053
Wat15  .9124  .3971  -.0286      .0325
Wat16  .6667  .3333   .5282       .046
Wat17  .1078  .6844   .1860       .105
Wat18  .1459  .9442  -.1396       .120
Wat19  .7836  .4206  -.1866       .123
Wat20   .043   .904    -.25       .072
Wat21     .0     .0      .0        .12
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Mountainite
Download hom/mountainite.pdf
Zubkova N V, Pekov I V, Pushcharovsky D Y, Chukanov N V
 
Zeitschrift fur Kristallographie 224 (2009) 389-396
The crystal structure and refined formula of mountainite, KNa2Ca2[Si8O19(OH)]*6H2O
Locality: Yubileinaya pegmatite, Lovozero alkaline complex, Kola Peninsula, Russia
_database_code_amcsd 0011131
13.704 6.5760 13.751 90 105.752 90 P2/c
atom       x     y      z occ  Uiso
K          0 .2758    .25     .0292
Na1    .4500 .8466  .5817  .5  .043
Na2    .4317 .7075  .4412  .5  .030
Ca    .01912 .2444 .56031     .0129
Si1   .33509 .2235 .64951     .0117
Si2    .2193 .4690  .7635     .0109
Si3    .2042 .1638  .1284     .0118
Si4    .2096 .5042  .9833     .0120
O1     .7958 .2940  .2696      .022
O2     .1192 .3437  .7139      .018
O3     .3196 .3818  .7349      .018
O4     .9034 .0768  .4265     .0225
O5     .2724 .2975  .5383      .020
O6     .2543 .4703  .8860      .016
O7     .7495 .3064  .4441      .017
O8     .2930 .0055  .6734      .021
O9     .4534 .2051  .6583  .5  .022
OH9    .4534 .2051  .6583  .5  .022
O10    .0909 .4634  .4603      .018
Wat11  .9094 .0837  .6512      .023
Wat12     .5  .685    .75      .075
Wat13  .4747  .573  .4691  .5  .038
Wat14  .3600  .050  .3973  .5  .042
Wat15  .5488  .938  .5680  .5  .055
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Aklimaite
 
Zubkova N V, Pekov I V, Pushcharovsky D Y, Zadov A E, Chukanov N V
 
Zeitschrift fur Kristallographie 227 (2012) 452-455
The crystal structure of aklimaite, Ca4[Si2O5(OH)2](OH)4*5H2O
Locality: Mount Lakargi in KabardinoBalkaria, North Caucasus, Russia
_database_code_amcsd 0019808
16.907 3.6528 13.068 90 117.25 90 C2/m
atom       x     y      z occ  Uiso
Cal       .0    .0     .5     .0205
Ca2  -.14346    .5 .60449     .0186
Ca3    .0258    .0  .8659  .5 .0295
Si   -.20100 .4238  .3447  .5 .0139
O1    -.1007    .5  .4448     .0230
OH2    .0380    .0  .3458     .0192
O3    -.2673    .5  .3996     .0211
OH4   -.0886    .5  .8150  .5  .049
Wat4  -.0886    .5  .8150  .5  .049
OH5    .4075    .0  .1743  .5  .044
Wat5   .4075    .0  .1743  .5  .044
Wat6   .1768    .0  .0153      .087
O7    -.2122    .0  .2995  .5  .021
Wat8  -.0224    .0  .9533  .5  .031
OH9   -.2248 -.341  .2289  .5 .0263
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Labuntsovite-Mn
 
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P
 
Crystallography Reports 43 (1998) 820-827
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry
of minerals of the labuntsovite-nenadkevichite family
Sample: I
_database_code_amcsd 0012358
14.42 13.91 7.8 90 116.9 90 C2/m
atom        x     y     z occ Biso
NaAI    .4084 .2640 .0051  .5  4.6
KAII    .4175     0 .7010  .9  5.6
TiMI1     .25   .25    .5  .8 2.07
NbMI1     .25   .25    .5  .2 2.07
TiMI2       0 .2257    .5  .8 1.91
NbMI2       0 .2257    .5  .2 1.91
MnMII       0     0    .5  .2  2.1
Si1     .3213 .1106 .2503     1.19
Si2     .2074 .1096 .8011     1.16
O1      .0834 .1220 .6799      1.7
O2      .2735 .1805 .7365      1.5
O3      .2648 .1279 .3837      1.6
O4      .3643     0 .2775      1.7
O5      .2404     0 .7757      1.7
O6      .4214 .1782 .3052      1.8
O7      .2371 .1262 .0262      1.9
OH      .0999 .2252 .3958      1.7
KAIII   .0862     0 .3396  .8  3.3
WatAIII .0862     0 .3396  .2  3.3
Ow1        .5 .1445     0      9.5
Ow2         0 .1239     0      9.6
H1       .481  .118   .89        1
H2       .049  .133   .10        5
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Labuntsovite-Fe
 
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P
 
Crystallography Reports 43 (1998) 820-827
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry
of minerals of the labuntsovite-nenadkevichite family
Sample: II
_database_code_amcsd 0012359
14.33 13.83 7.79 90 117.1 90 C2/m
atom        x     y     z   occ Biso
NaAI    .4068 .2665  .007    .5  3.9
NaAII   .4190     0 .7022  .125  5.3
KAII    .4190     0 .7022   .75  5.3
TiMI1     .25   .25    .5    .9 2.46
NbMI1     .25   .25    .5    .1 2.46
TiMI2       0 .2247    .5    .9 2.45
NbMI2       0 .2247    .5    .1 2.45
FeMII       0     0    .5 .0625  2.6
MnMII       0     0    .5 .0625  2.6
MgMII       0     0    .5  .025  2.6
Si1     .3225 .1107 .2520       1.65
Si2     .2080 .1094 .8017       1.60
O1      .0829 .1201 .6801        2.2
O2      .2743 .1824 .7376        1.9
O3      .2657 .1259 .3876        2.0
O4      .3667     0 .2769        2.1
O5      .2431     0 .7764        2.2
O6      .4209 .1803 .3026        2.2
O7      .2363 .1262 .0271        2.2
OH      .1013 .2229 .3965        2.0
KAIII   .0839     0 .3363   .65 2.24
BaAIII  .0839     0 .3363    .2 2.24
WatAIII .0839     0 .3363   .15 2.24
Ow1        .5 .1425     0       10.3
Ow2         0 .1175     0       10.7
H1       .479  .119   .89          3
H2       .051  .131   .09          4
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Kuzmenkoite-Mn
 
Rastsvetaeva R K, Chukanov N V, Pekov I V
 
Crystallography Reports 45 (2000) 759-761
Refined crystal structure of kuzmenkoite
Locality: Lovozero massif, Kola Peninsula, Russia
_database_code_amcsd 0012368
14.369 13.906 7.812 90 117.09 90 Cm
atom      x     y     z  occ Biso
K1    .0945     0  .336  .27  3.5
Ba1   .0945     0  .336  .03  3.5
K2    .5725 .0393 .2865  .41  3.6
K3    .4275 .0543  .731  .21  3.3
Na3   .4275 .0543  .731  .09  3.3
K4     .518  .112  .027  .06  5.0
TiM1  .0000 .2301 .5000   .9 1.22
NbM1  .0000 .2301 .5000   .1 1.22
TiM2  .2510 .2511 .5028   .8 1.02
FeM2  .2510 .2511 .5028   .2 1.02
Mn   -.0024     0 .5017  .56 1.25
Nb   -.0024     0 .5017  .14 1.25
Si1   .1830 .3892 .7538       .43
Si2   .8170 .6109 .2476      1.16
Si3   .2932 .3906 .1963       .63
Si4   .7064 .6099 .8027       .83
O      .497  .346  .011 .325  5.1
H3O    .497  .346  .011 .325  5.1
O1    .0835 .3221 .6918       1.5
O2    .2399 .3717 .6203        .9
O3    .7696 .6790 .7304       1.5
O4    .4176 .3791 .3275        .5
O5    .3563     0 .2724        .7
O6    .2665 .3723 .9740       1.2
O7    .2409     0  .786       1.3
O8    .9193 .6794 .3107       1.1
O9    .7617 .6288 .3832       1.3
O10   .2264 .3192 .2621        .8
O11   .5816 .6204 .6710       1.8
O12   .1411    .5 .7335       2.2
O13   .7324 .6303 .0244       1.5
O14   .2578    .5 .2123       1.3
OH1   .0999 .2306 .6059        .9
OH2   .0994 .7722 .3918       1.3
Wat1   .896     0  .656  .80  2.7
Wat2   .491  .139 -.048  .50  9.3
Wat3   .977  .162  .980  .35  1.7
Wat4   .085     0  .333  .70  3.1
Wat5   .531  .119  .129  .20  1.6
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Ancylite-(Ce)
Download hom/ancylitece.pdf
Belovitskaya Y V, Pekov I V, Gobechiya E R, Yamnova N A, Kabalov Y K,
Chukanov N V, Schneider J
 
Crystallography Reports 47 (2002) 223-228
Crystal structures of two ancylite modifications
Locality: Lovchorrite Mine, Hackman Velley, Khibiny massif, Kola Peninsula, Russia
Sample: Specimen 52
_database_code_amcsd 0012378
5.0634 8.5898 7.2781 90 90 90 Pmc2_1
atom     x     y     z occ Biso
SrM1     0 .0977 .6437 .97  .48
CaM1     0 .0977 .6437 .02  .48
BaM1     0 .0977 .6437 .01  .48
CeM2    .5 .5897 .8475 .52  .66
LaM2    .5 .5897 .8475 .28  .66
NdM2    .5 .5897 .8475 .11  .66
PrM2    .5 .5897 .8475 .04  .66
SmM2    .5 .5897 .8475 .01  .66
C1       0  .554  .191      1.9
C2      .5  .056  .308      1.8
O11      0  .418  .271      2.1
O12     .5  .919  .244      1.4
O21   .277  .122  .352      1.3
O22   .223  .617  .151      1.5
Wat31    0  .204  .992  .9  1.4
OH32    .5  .660  .516 .83  1.0
F32     .5  .660  .516 .13  1.0
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Ancylite-(Ce)
Download hom/ancylitece.pdf
Belovitskaya Y V, Pekov I V, Gobechiya E R, Yamnova N A, Kabalov Y K,
Chukanov N V, Schneider J
 
Crystallography Reports 47 (2002) 223-228
Crystal structures of two ancylite modifications
Locality: Tulilukht Bay, Khibiny massif, Kola Peninsula, Russia
Sample: Specimen 54
_database_code_amcsd 0012379
5.0577 8.5665 7.3151 90 90 90 Pmcn
atom     x     y     z  occ Biso
SrM    .25 .3409 .6482  .40  .96
CaM    .25 .3409 .6482 .025  .96
BaM    .25 .3409 .6482 .005  .96
CeM    .25 .3409 .6482  .31  .96
LaM    .25 .3409 .6482  .20  .96
NdM    .25 .3409 .6482 .045  .96
PrM    .25 .3409 .6482 .015  .96
C      .75 .1961 .8154       3.7
O1     .75 .3286 .7336       2.7
O2   .5266 .1223 .8525       1.2
OH3    .25 .4183 .9736 .425  2.7
F3     .25 .4183 .9736 .075  2.7
Wat3   .25 .4183 .9736   .5  2.7
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Ikranite
 
Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 48 (2003) 717-720
Ikranite: composition and structure of a new mineral of the eudialyte group
Locality: Mount Karnasurt, Lovozero alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0012386
14.167 14.167 30.081 90 90 120 R3m
atom        x     y      z  occ Biso
Zr      .3332 .1666  .1669      1.86
Si1     .0832 .5416  .2573       2.1
Si2     .1406 .0703  .0804       2.0
Si3     .0550 .3249  .2366       1.5
Si4     .2056 .4112  .0788       2.7
Si5     .5266 .2633  .2538       1.7
Si6    -.0073 .6052  .0971       1.6
O1      .0218 .5109  .3017       3.9
O2      .4127 .3092  .1278       2.3
O3      .4021 .0342  .0451       4.1
O4      .0359 .2993  .2881       4.0
O5      .0939 .3738  .1073       2.7
O6      .3912 .4377  .2260       2.5
O7      .2584 .0284  .2053       3.1
O8      .4452 .2226  .2938       5.8
O9      .1765 .3530  .2202       2.5
O10     .1912 .0956  .1259       3.2
O11     .1808 .3616  .0284       3.6
O12     .6060 .3940  .2537       3.1
O13     .2208 .1104  .0389       4.0
O14     .3951 .6049  .2540       4.8
O15     .0185 .5092  .1046       4.0
O16     .0617 .1234  .0740       2.5
O17     .2725 .5450  .0709       5.0
O18     .4692 .2346  .2045       3.4
CaM1    .2626 .0012  .0004 .550 2.21
MnM1    .2626 .0012  .0004 .233 2.21
CeM1    .2626 .0012  .0004 .055 2.21
LaM1    .2626 .0012  .0004 .022 2.21
NdM1    .2626 .0012  .0004 .006 2.21
NaM1    .2626 .0012  .0004 .075 2.21
SrM1    .2626 .0012  .0004 .059 2.21
Fe3+M2a .4907 .5094  .0016  .70  4.6
NaM2b   .5324 .4676  -.003  .30  9.3
ZrM3a     1/3   2/3  .0306 .086  1.9
NbM3a     1/3   2/3  .0306 .032  1.9
TiM3a     1/3   2/3  .0306 .032  1.9
SiM3b     1/3   2/3  .0859  .30  1.7
ZrM4a     1/3   2/3  .2271  .15  2.2
ZrM4b     1/3   2/3  .2875 .164  2.8
NbM4b     1/3   2/3  .2875 .068  2.8
TiM4b     1/3   2/3  .2875 .068  2.8
NaA1a   .1110 .2220  .1528 .494  2.2
H3OA1a  .1110 .2220  .1528 .166  2.2
H3OA1b  .0808 .1616  .1663  .34    3
NaA2a   .5681 .4319  .1730  .70  1.3
NaA2b   .5450 .4550  .1789  .30  2.6
NaA3a   .4648 .2324  .0484 .615  1.4
H3OA3a  .4648 .2324  .0484 .205  1.4
H30A3b   .492  .246   .035  .18  1.2
NaA4a   .2359 .4718 -.0459  .65  2.5
KA4a    .2359 .4718 -.0459   .1  2.5
SrA4a   .2359 .4718 -.0459  .05  2.5
H3OA4b   .266  .533  -.054  .20  1.9
H3OA5a   .391  .609   .159 .073    4
OHA5a    .391  .609   .159 .157    4
H3OA5b   .185  .593   .164  .45    4
Cl        1/3   2/3   .150  .74  5.3
OH1       1/3   2/3   .137  .30    7
OH2      .391  .609   .159  .23    4
OH3      .259  .518  .3307  .70  6.5
OH4      .420  .580  -.001  .70  7.1
Wat1a       0     0  .2250   .7  1.5
Wat1b       0     0   .199   .3  1.4
Wat2      2/3   1/3  .0999       2.5
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Greifensteinite
 
Barinova A V, Rastsvetaeva R K, Chukanov N V, Pietraszko A
 
Crystallography Reports 49 (2004) 942-945
Refinement of the crystal structure of Zn-containing greifensteinite
Locality: Pirineus mine, Minas Gerais, Brazil
_database_code_amcsd 0019974
15.941 11.877 6.625 90 95.09 90 C2/c
atom     x     y     z  occ Biso
Ca       0 .2571   .25       2.1
MnM1     0     0     0  .34 2.04
FeM2 .1713 .1616 .9960 .588 2.26
ZnM2 .1713 .1616 .9960 .180 2.26
MnM2 .1713 .1616 .9960 .115 2.26
MgM2 .1713 .1616 .9960 .048 2.26
AlM2 .1713 .1616 .9960 .070 2.26
P1   .1880 .1173 .4779       1.9
P2       0 .2740   .75       1.6
Be    .333  .178  .299       2.6
O1   .3559 .4973  .498       2.4
O2   .2824 .0999  .450       2.1
O3   .1454 .1823  .299       1.9
O4   .3188 .3136  .328       1.6
O5   .4583 .2970  .074       1.9
O6   .4338 .1505  .342       2.1
OH   .3000 .1640  .062       1.9
Ow1  .0928 .4194  .219       2.5
Wat2     0  .041   .25       3.3
H1    .082  .488  .179         3
H2    .150  .417  .180         3
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Golyshevite
 
Rozenberg K A, Rastsvetaeva R K, Chukanov N V, Verin I A
 
Crystallography Reports 50 (2005) 539-543
Crystal structure of golyshevite
Locality: Kovdor massif, Kola Peninsula, Russia
_database_code_amcsd 0012391
14.231 14.231 29.984 90 90 120 R3m
atom       x     y      z  occ  Uiso
NaA1a  .1094 .2188  .1557  .80 .0248
NaA1b   .078  .156  .1734  .20  .015
NaA2a  .5658 .4342  .1754  .89 .0308
NaA2b   .549  .098   .179  .11  .039
CaA3a  .2348 .4696 -.0460  .35 .0297
NaA3a  .2348 .4696 -.0460  .35 .0297
NaA3b   .228  .114  .2769  .29  .023
CaA4a  .4528 .2264  .0504  .80 .0261
NaA4b   .491  .245   .036  .10  .023
KA4b    .491  .245   .036  .10  .023
Na5     .191  .595   .152  .32  .043
Zr     .3324 .1662  .1668      .0180
Ca     .0010 .2608  .0001 .983 .0119
Ce     .0010 .2608  .0001 .017 .0119
Fe1    .5195 .4805 -.0021  .56 .0166
Fe2    .0492 .5246  .0033  .17 .0137
Mn2    .0492 .5246  .0033  .10 .0137
NbM3a    1/3   2/3  .2890  .18  .022
AlM3a    1/3   2/3  .2890  .08  .022
SiM3b    1/3   2/3  .2464  .50  .016
NbM4a    1/3   2/3  .0410  .39 .0194
SiM4b    1/3   2/3   .092  .16  .017
Si1    .5258 .2629  .2502       .011
Si2   -.0055 .6038  .0970      .0134
Si3    .2065 .4130  .0770       .018
Si4    .0872 .5436  .2589       .017
Si5    .0585 .3282  .2361      .0133
Si6    .1400 .0700  .0817       .013
O1     .4816 .2408  .1998       .031
O2     .2575 .0309  .2089       .034
O3     .3991 .3006  .1263       .029
O4     .6061 .3939  .2554       .020
O5     .4322 .2161  .2875       .016
O6     .4128 .0347  .0446       .028
O7     .0987 .3761  .1076       .026
O8     .0180 .5090  .1149       .029
O9     .2734 .5468  .0729       .044
O10    .1828 .3656  .0278       .019
O11    .0324 .5162  .3061       .023
O12    .1760 .3520  .2179       .026
O13    .0471 .3028  .2886       .024
O14    .3889 .4302  .2277       .028
O15    .3937 .6063  .2535       .034
O16    .0628 .1256  .0771       .026
O17    .1912 .0956  .1302       .028
O18    .2250 .1125  .0428       .021
C1       2/3   1/3   .108  .55  .026
C2       2/3   1/3   .083  .45  .022
Oc1     .612  .388   .108  .55  .053
Oc2    .6141 .3859  .0869  .45  .067
OH1     .265  .530   .324  .33  .030
OH2     .212  .606   .002  .39  .029
OH3      1/3   2/3   .145  .16  .064
OH4      1/3   2/3   .192  .50  .065
Cl         0     0  .2412  .29  .028
Wat1       0     0   .263  .24  .034
Wat2       0     0   .293  .23  .029
Wat3       0     0   .179  .24  .038
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Rondorfite
 
Rastsvetaeva R K, Zadov A E, Chukanov N V
 
Crystallography Reports 53 (2008) 199-205
Crystal structure of low-symmetry rondorfite
Locality: Kabardino-Balkarian Republic, Northern Caucasus Region, Russia
_database_code_amcsd 0012395
15.100 15.110 15.092 90.06 90.01 89.93 P1
atom      x      y      z Biso
Ca1   .2454  .9948  .4940  .71
Ca2   .7481  .9911 -.0062 1.83
Ca3   .2399  .4954 -.0029 2.06
Ca4   .7380  .4943  .4962 1.91
Ca5  -.0052  .7457 -.0083  .53
Ca6  -.0052  .4915  .2441  .54
Ca7   .4984  .2403 -.0033 1.81
Ca8   .4953  .7391  .4969 2.08
Ca9  -.0037  .2390  .4969 2.18
Ca10  .4956  .4932  .7406 2.42
Ca11  .4965  .9947  .2419 2.15
Ca12 -.0046  .9976  .7400 1.91
Ca13  .2439  .2432  .7423  .92
Ca14  .7438  .7433  .7439 1.74
Ca15  .2415  .7443  .2451 2.21
Ca16  .7433  .2401  .2423 2.15
Ca17  .9014  .6171  .6178 1.87
Ca18  .6191  .6185  .9038 1.86
Ca19  .4037  .1181  .6192 1.41
Ca20  .4032  .6179  .1183 1.29
Ca21  .1196  .1178  .9023 1.52
Ca22  .9025  .1178  .1183 1.28
Ca23  .1179  .6183  .4017 1.34
Ca24  .6180  .1165  .4021 1.24
Ca25  .1185  .4034  .6190 2.22
Ca26  .1190  .9021  .1187 1.42
Ca27  .6174  .9018  .6173 1.18
Ca28  .6193  .4020  .1183 1.24
Ca29  .1197  .3342  .1185 1.03
Ca30  .6186  .3334  .6177 1.89
Ca31  .1162  .8329  .6187 1.85
Ca32  .6183  .8322  .1186 1.75
Ca33  .3335  .1182  .1193 1.07
Ca34  .8333  .6172  .1175 1.82
Ca35  .8336  .1173  .6180 1.92
Ca36  .3355  .6171  .6174 2.00
Ca37  .1179  .1191  .3343  .82
Ca38  .1180  .6160  .8335 1.89
Ca39  .6191  .1186  .8333 1.93
Ca40  .6183  .6153  .3332 1.86
Ca41  .3685  .3676  .1536 2.08
Ca42  .8679  .3677  .6531 2.05
Ca43  .8689  .8667  .1510 1.99
Ca44  .3675  .8677  .6520 1.97
Ca45  .3693  .6527  .8684 1.71
Ca46  .8677  .1528  .8711 2.09
Ca47  .6527  .3679  .8683 2.14
Ca48  .1517  .8685  .8686 1.83
Ca49  .1527  .3668  .3682 1.99
Ca50  .3676  .1517  .3677 2.12
Ca51  .8683  .6506  .3664 1.91
Ca52  .6535  .8668  .3672 1.80
Ca53  .3681  .0843  .8705 1.75
Ca54  .8696  .0828  .3679 2.11
Ca55  .8686  .5834  .8664 2.35
Ca56  .3681  .5839  .3678 2.17
Ca57  .3707  .3676  .5842 1.82
Ca58  .8700  .3677  .0828 2.51
Ca59  .5847  .3679  .3692 1.95
Ca60  .0830  .8681  .3682 2.19
Ca61  .0837  .3668  .8681 2.26
Ca62  .3676  .8672  .0840 2.17
Ca63  .8667  .8685  .5837 1.97
Ca64  .5846  .8680  .8684 2.21
Mg1   .8724  .3678  .8700 1.08
Mg2   .8669  .8679  .3692 2.03
Mg3   .3648  .3669  .3685 1.90
Mg4   .3669  .8682  .8678 2.20
Mg5   .1209  .6184  .6205 0.51
Mg6   .1199  .1185  .1160 1.05
Mg7   .6149  .1159  .6207  1.7
Mg8   .6150  .6170  .1187  2.2
Si1   .0041  .5014 -.0039 0.86
Si2   .0045  .0029  .5038 1.25
Si3   .5053  .5031  .5089 2.08
Si4   .5044  .0044  .0034 0.93
Si5   .2589  .9783  .2578 2.61
Si6   .7548  .4840  .2505 0.68
Si7   .2540  .4838  .7529 0.99
Si8   .7509  .9876  .7526 1.01
Si9   .9801  .2571  .2559 1.15
Si10  .4863  .2520  .7532 0.36
Sil1  .7542  .7557  .9844 1.15
Si12  .9841  .7510  .7542 2.13
Si13  .2554  .2540  .9819 0.72
Si14  .7526  .2521  .4849 1.98
Si15  .2536  .7463  .4899 2.30
Si16  .4894  .7510  .2503 2.07
Si17  .5087  .2303  .2321 1.12
Si18  .0013  .7328  .2332 1.70
Si19  .0008  .2375  .7371 1.74
Si20  .5033  .7369  .7366 1.79
Si21  .2290  .7297  .0057 0.53
Si22  .7382  .7368  .5029 1.73
Si23  .7364  .2358  .0028 1.69
Si24  .2416  .2346  .5017 2.06
Si25  .2308  .0064  .7283 0.60
Si26  .2359  .5025  .2350 1.80
Si27  .7396  .5002  .7376 2.25
Si28  .7389  .0001  .2391 2.10
Si29  .4803  .4790 -.0201 0.70
Si30 -.0128  .4825  .4811 1.55
Si31  .4854 -.0154  .4844 2.94
Si32 -.0091  .9913 -.0088 0.98
O1    .2630  .0402  .3493  1.7
O2    .9375  .4454  .9465  1.8
O3    .8448  .2612  .5423  1.2
O4    .8486  .7631  .0342  1.4
O5    .9384  .9368  .4415  1.9
O6    .4411  .9385  .9436  2.1
O7    .7619  .5388  .3448  1.8
O8    .3431  .7658  .5422  2.1
O9    .7647  .0379  .8468  1.5
O10   .0947  .7276  .2910  1.7
O11   .6429  .0114  .2911  1.8
O12   .2614  .5390  .8460  2.1
O13   .3483  .2610  .0383  1.4
O14   .5946  .5131  .4460  1.7
O15   .0400  .3475  .2651  0.8
O16   .4381  .4393  .4386  1.9
O17   .5427  .8382  .2595  1.6
O18   .0340  .8451  .7619  2.3
O19   .5414  .3469  .7616  2.4
O20   .2910  .6406  .0107  1.7
O21   .7890  .1408  .0129  1.9
O22   .2235  .2894  .5959  1.4
O23   .0940  .2215  .7909  1.5
O24   .1433  .5161  .2905  2.2
O25   .6433  .5112  .7901  1.6
O26   .5987  .2191  .2893  1.8
O27   .0090  .2878  .6423  1.8
O28   .7891  .6433  .5147  1.8
O29   .5931  .7229  .7840  2.4
O30   .5160  .7871  .6409  2.1
O31   .1428  .0136  .7848  1.5
O32   .5172  .2880  .1456  1.7
O33   .2199  .7895  .0947  2.0
O34   .0971  .5108  .9463  0.9
O35   .5121  .9468  .0916  2.1
O36   .0174  .7859  .1393  1.6
O37   .2874  .1413  .5142  1.6
O38   .7238  .7899  .5913  2.1
O39   .1432  .2197  .4534  2.1
O40   .7239  .2897  .0938  1.7
O41   .5121  .4464  .5948  1.2
O42   .8934  .9726  .0416  1.5
O43   .3947  .7618  .1969  2.0
O44   .7922  .0926  .2255  1.7
O45   .9496  .5918  .0103  2.2
O46   .9780  .0432  .8903  1.6
O47   .2934  .0889  .7212  1.9
O48   .8926  .7641  .6964  1.4
O49   .6904  .0466  .6888  2.4
O50   .7647  .1970  .3899  1.5
O51   .2667  .1981  .8927  2.0
O52   .6396  .2202  .9435  1.7
O53   .9738  .5382  .3933  2.0
O54   .0181  .4472  .0932  1.7
O55   .5946  .0153  .9460  2.8
O56   .1886  .5429  .6870  1.6
O57   .9469  .6428  .2226  1.9
O58   .1982  .8892  .2655  1.7
O59   .5385  .3901  .9740  1.7
O60   .4469  .5933  .5189  1.6
O61   .1468  .7233  .9430  2.0
O62   .7867  .5936  .7206  1.5
O63   .4707  .0368  .3872  2.3
O64   .0417  .8904  .9726  2.0
O65   .3922  .4725  .0360  2.2
O66   .6889  .5466  .1925  2.1
O67   .0921  .0175  .4460  2.2
O68   .6955  .8930  .7618  1.7
O69   .4475  .1409  .2221  1.7
O70   .1957  .0435  .1894  2.0
O71   .8920  .4736  .5390  2.3
O72   .4464  .6405  .7212  2.4
O73   .3876  .2604  .6974  1.8
O74   .7600  .6987  .8899  2.3
O75   .0389  .3916  .4716  1.0
O76   .3903  .9747  .5371  1.6
O77   .4707  .5371  .8912  2.0
O78   .1987  .3910  .7631  1.8
O79   .6432  .7248  .4465  2.3
O80   .0123  .9450  .5949  2.1
O81   .4444  .2958  .2962  2.3
O82   .8941  .2648  .1951  2.3
O83   .7978  .4398  .7972  2.1
O84   .7230  .9437  .1413  1.9
O85   .9491  .1410  .7208  1.8
O86   .4456  .0954  .0121  2.7
O87   .7958  .9383  .2943  1.9
O88   .2992  .2949  .4417  1.9
O89   .2983  .9349  .7982  2.0
O90   .9463  .0923  .5119  2.0
O91   .8489  .9706  .6982  2.0
O92   .3457  .9714  .1924  1.1
O93   .1888  .6873  .5431  2.0
O94   .7015  .3855  .2623  2.3
O95   .8451  .4734  .1985  1.9
O96   .2932  .5978  .2250  1.8
O97   .2001  .3435  .9703  2.3
O98   .7997  .2970  .9429  2.4
O99   .7943  .7993  .4373  1.9
O100  .1982  .8443  .4802  1.6
O101  .6894  .1914  .5479  2.6
O102  .2970  .4402  .2936  2.6
O103  .5415  .8875  .4762  2.2
O104  .9407  .2940  .7899  2.0
O105  .1900  .1875  .0457  1.8
O106  .2936  .7930  .9386  2.5
O107  .6939  .8438  .9696  1.8
O108  .7230  .4483  .6426  2.2
O109  .4745  .1955  .8453  1.6
O110  .2195  .9450  .6485  1.8
O111  .4716  .6940  .3460  1.6
O112  .9387  .7942  .2973  2.4
O113  .3453  .4749  .6984  2.7
O114  .9759  .1964  .3416  2.1
O115  .2605  .6957  .3902  1.8
O116  .4381  .7947  .8006  1.6
O117  .5466  .1872  .6927  1.6
O118  .2246  .4483  .1421  2.0
O119  .0476  .1870  .1845  1.9
O120  .6949  .3470  .4702  1.8
O121  .6929  .6924  .0491  1.6
O122  .9767  .6932  .8475  2.2
O123  .0455  .5469  .5516  2.1
O124  .5395  .6887  .1860  2.6
O125  .0485  .0449  .0472  1.8
O126  .5410  .0539  .5470  2.2
O127  .0513  .6899  .6926  1.6
O128  .5449  .5418  .0495  1.7
Cl1   .7405  .7422  .2389 1.80
Cl2   .7446  .2429  .7441 2.17
Cl3   .2466  .7416  .7456 2.13
Cl4   .2467  .2465  .2488 1.92
Cl5   .7409  .4945  .9924 1.70
Cl6   .7431  .9907  .4943 2.00
Cl7   .9890  .4908  .7410 1.94
Cl8   .2468  .9918  .9939 2.35
Cl9   .4904  .4928  .2450 1.96
Cl10  .2477  .4896  .4917 2.33
Cl11 -.0058  .2427  .9965 2.01
Cl12 -.0021  .9892  .2447 2.02
Cl13 -.0071  .7442  .4914 2.24
Cl14  .4940  .9907  .7454 2.18
Cl15  .4941  .7423  .9941 1.83
Cl16  .4896  .2451  .4882 2.21
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Britvinite
 
Yakubovich O V, Massa W, Chukanov N V
 
Crystallography Reports 53 (2008) 206-215
Crystal structure of britvinite [Pb7(OH)3F(BO3)2(CO3)][Mg4.5(OH)3(Si5O14)]:
A new layered silicate with an original type of silicon-oxygen networks
Locality: Varmland, Sweden
_database_code_amcsd 0012396
9.3409 9.3579 18.8333 80.365 75.816 59.870 P-1
atom      x      y      z  occ   Uiso
Si1   .6638  .6431 .34874       .0149
Si2   .3603  .2950 .34902       .0142
Si3   .6753  .9600 .35497       .0147
Si4   .3423  .6272 .35457       .0135
Si5   .0107  .9466 .34929       .0132
Mg1      .5     .5     .5       .0136
Mg2   .8369  .1664  .4964       .0134
Mg3   .1671  .1689  .4959       .0131
Mg4   .8354  .4987  .4971       .0128
Mg5   .4993  .8330  .5000       .0134
Pb1  .06509 .53207 .23857 .952 .02045
Pb1A   .173   .653   .234 .020   .032
Pb1B   .973   .719   .236 .012   .032
Pb2  .28960 .07376 .23590 .961 .01878
Pb2A   .406   .875   .235 .020   .032
Pb2B   .502   .973   .238 .012   .032
Pb3  .82941 .30837 .23655 .958 .01878
Pb3A   .744   .191   .240 .016   .032
Pb3B   .631   .409   .241 .014   .032
Pb4  .77275 .97209 .14948 .964  .0299
Pb5   .4359  .6395  .1480  .60  .0279
Pb5A  .4405  .6609  .1383  .35  .0341
Pb6    .836  .2432  .9967  .44  .0463
Pb6A  .9190  .2396  .0138 .202  .0318
Pb6B   .785   .280  .0043  .26   .042
Pb6C  .7228   .379  .0015 .053   .032
Pb7   .1188  .3166  .0776 .433  .0521
Pb7A  .1397  .3622  .0772 .346  .0237
Pb8   .5716  .0521  .9995 .283  .0302
Pb8A  .6098  .9712  .9857 .176  .0248
C1     .783  .6505  .1168        .028
B1    .1071  .9784  .1280        .022
B2     .447   .315  .1284 .734   .013
Si6   .4644  .3212  .0808 .266   .013
O1    .6361  .6207  .4378       .0151
O2    .4502  .6770  .0277        .046
O3    .2322  .2934  .3054       .0211
O4    .0331  .3816  .5564       .0156
O5    .9680  .2829  .4432       .0132
O6    .3665  .7153  .5560       .0154
O7    .9717  .9504  .4385       .0151
O8    .3071  .2874  .4375       .0140
O9    .8351  .5024  .3064       .0221
O10   .7005  .0494  .5553       .0149
O11   .6361  .9507  .4430       .0148
O12   .3047  .6156  .4422       .0135
O13   .3748  .4629  .3202       .0219
O14   .8677  .9271  .3216       .0233
O15   .5075  .6496  .3310       .0214
O16   .5487  .1418  .3226       .0204
O17   .1873  .7824  .3220       .0223
O18   .9177  .6512  .1166        .034
O19   .0212  .1055  .3048       .0231
O20   .7507  .0182  .8746        .036
O21   .8245  .0065  .0289        .030
O22   .6533  .8235  .3222       .0197
O23   .8937  .1607  .8732        .028
O24   .7797  .5148  .1155        .035
O25   .6452  .7867  .1218        .037
O26   .3023  .4579  .1222        .045
O27   .5825  .3152  .1299        .039
O28   .4502  .1720  .1273        .035
O29   .9599  .1223  .1307        .034
F1    .0789  .3118  .1942 .719  .0107
F1a    .101   .317  .1472 .281  .0107
Download AMC data (View Text File)
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Jinshajiangite
Download hom/jinshajiangite.pdf
Rastsvetaeva R K, Chukanov N V, Rozenberg K
 
Crystallography Reports 53 (2008) 553-556
A crystal structure of jinshajiangite from the Norra Karr complex (Sweden)
Locality: Norra Karr alkaline complex, Sweden
_database_code_amcsd 0012410
5.350 6.909 20.96 90 99.83 90 P2/m
atom       x     y     z occ Biso
BaBa       0    .5    .5  .8  1.8
KBa        0    .5    .5  .2  1.8
Na        .5     0    .5      3.8
KK         0     0     0  .6  2.3
BaK        0     0     0  .4  2.3
CaCa      .5    .5     0 .76  2.5
BaCa      .5    .5     0 .24  2.5
Si1    .5809 .2246 .1182      1.4
Si2     .424  .292 .3792      1.3
Ti1     .924     0 .3966      1.4
TiTi2  .0609    .5 .1013  .8  2.0
NbTi2  .0609    .5 .1013  .1  2.0
ZrTi2  .0609    .5 .1013  .1  2.0
FeFe1  .0010 .2542 .2491 .75  1.4
MnFe1  .0010 .2542 .2491 .25  1.4
FeFe2  .5053    .5 .2463 .75  1.1
MgFe2  .5053    .5 .2463 .25  1.1
FeFe3  .5126     0 .2570 .75  1.0
MnFe3  .5126     0 .2570 .25  1.0
O1      .633  .260 .2004       .5
OH2     .143     0 .2053      2.1
OH3       .5    .5    .5      3.2
OH4     .884    .5 .2900      1.2
O5      .368  .284 .3052      1.3
O6      .862     0  .312      2.3
O7      .319  .262 .0829      1.6
OH8        0    .5     0      1.4
O9      .806  .299 .0879      1.1
O10     .488     0 .1023      2.5
O11     .317    .5 .4032      1.7
O12     .688  .154 .4091      4.9
O13     .241  .160  .415      5.3
OH14       0     0    .5      5.9
OH15      .5     0     0      5.6
F       .131    .5 .1878      1.8
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Saleeite
Download hom/saleeite.pdf
Yakubovich O V, Steele I M, Atencio D, Menezes L A, Chukanov N V
 
Crystallography Reports 53 (2008) 764-770
Crystal structure of the (Mg,Fe)[UO2(P,As)O4]2*10H2O solid solution-
a novel mineral variety of saleeite
Locality: Eduardo Mine, Galileia County, Minas Gerais, Brazil
_database_code_amcsd 0012411
6.952 19.865 6.969 90 90.806 90 P2_1/n
atom       x      y      z  occ   Uiso
MgMg       0     .5      0 .810  .0123
FeMg       0     .5      0 .190  .0123
O1     .5057  .2029  .3410       .0131
O2     .5224  .2962  .0117       .0112
O3     .6069  .1999  .6932       .0136
O4     .5576  .1173  .0202       .0124
O5     .2236  .2012  .9749       .0130
O6     .8747  .2070  .0740       .0136
O7     .9031  .4964  .2733       .0161
O8     .7697  .5683  .9272       .0149
O9     .1704  .5808  .0676       .0163
O10    .5651  .4298  .3613       .0207
O11    .5255  .5854  .2373       .0163
Hl      .708   .570   .031        .014
H2      .785   .609   .898        .014
H3      .620   .392   .373         .05
H4       .91   .525   .363         .08
H5      .111   .618   .070         .04
H6      .532   .415   .251         .05
H7      .264   .571   .142         .04
H8       .53   .561   .338         .14
H9       .57   .622    .29         .14
Hl0     .789   .481    .27         .08
U     .54987 .20666 .01584      .00964
PP    .05400 .25117 .02067 .670  .0087
AsP   .05400 .25117 .02067 .330  .0087
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Uramarsite
 
Rastsvetaeva R K, Sidorenko G A, Ivanova A G, Chukanov N V
 
Crystallography Reports 53 (2008) 771-774
Structural model of uramarsite
Locality: South Kazakhstan
_database_code_amcsd 0012412
7.173 7.167 9.30 90.13 90.09 89.96 P1
atom    x    y     z occ
NH4  .654 .339  .738
H3O  .670 .747  .692 .72
NH4  .670 .747  .692 .15
Na   .670 .747  .692 .09
U1   .034 .061  .002
U2   .535 .557  .199
As   .532 .060  .101
PP   .032 .558  .103 .78
AsP  .032 .558  .103 .22
O1   .537 .554  .005
O2   .039 .749 -.003
O3   .718 .061  .000
O4   .021 .375  .003
O5   .541 .249  .209
O6   .038 .000  .809
O7   .357 .065 -.005
O8   .498 .874  .207
O9   .000 .000  .200
O10  .854 .548  .210
O11  .180 .550  .220
O12  .513 .509  .391
Wat1 .739 .109  .498
Wat2 .279 .222  .449
Wat3 .279 .396  .742
Wat4 .154 .758  .569
Wat5 .306 .712  .794
Wat6 .464 .023  .552
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Biachellaite
 
Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 53 (2008) 981-988
Model of the crystal structure of biachellaite as a new
30-layer member of the cancrinite group
Locality: Biachella Valley, near Sacrofano Caldera, Italy
_database_code_amcsd 0018983
12.913 12.913 79.605 90 90 120 P3
atom      x      y      z   occ
Si1   .2521  .2553  .1333    .5
Si2  -.0040  .2472  .1328    .5
Si3   .0004  .2535  .2686    .5
Si4   .4340  .3465  .3997    .5
Si5   .0077  .2427  .3640    .5
Si6   .0726  .4186  .4325    .5
Si7   .4077  .0671  .0003    .5
Si8   .2398  .2506  .4663    .5
Si9   .3283  .4121  .4327    .5
Si10  .4237  .3190 -.0004    .5
Si11  .6677  .5799  .0999    .5
Si12  .2415  .2426  .2015    .5
Si13  .6621  .5830  .3019    .5
Si14 -.0065  .2462  .2016    .5
Si15  .3295  .4124  .1671    .5
Si16  .0829  .4172  .2349    .5
Si17  .4134  .3326  .3006    .5
Si18  .2500  .2600  .0330    .5
Si19 -.0081  .2543  .0358    .5
Si20  .0037  .2511  .4670    .5
Si21  .6745  .0818  .0999    .5
Si22  .3283  .4117  .2338    .5
Si23  .4101  .0819  .4963    .5
Si24  .0000  .2500  .5321    .5
Si25  .4171  .0862  .3977    .5
Si26  .3400  .4200  .9660    .5
Si27  .2263  .2417  .9300    .5
Si28  .2484  .2498  .2678    .5
Si29  .2451  .2485  .3668    .5
Si30  .5968  .6763  .1682    .5
Si31  .6740  .1070  .4900    .5
Si32  .3300 -.0800  .9680    .5
Si33  .2331  .0150  .9347    .5
Si34  .3191  .4001  .5689    .5
Si35  .0729  .4200  .5640    .5
Si36  .3322  .4164  .0615    .5
Si37  .0808  .4203    1/3    .5
Si38  .3307  .4168  .3341    .5
Si39  .2500  .2500  .5270    .5
Si40  .0813  .4144  .0686    .5
Si41  .0100  .2589  .5991    .5
Si42  .2500  .2500  .6010    .5
Si43  .0000  .3000  .7000    .5
Si44  .2473  .2500  .7000    .5
Si45  .0000  .2500  .8000    .5
Si46  .2500  .2500  .7980    .5
Si47  .3417  .4220  .6670    .5
Si48  .0800  .4000  .6600    .5
Si49  .3400  .4100  .7700    .5
Si50  .0888  .4390  .7650    .5
Si51  .3190  .4040  .8660    .5
Si52  .0700  .4160  .8700    .5
Si53  .3948  .0856  .7350    .5
Si54  .4100  .3300  .7350    .5
Si55  .4114  .0846  .6290    .5
Si56  .6521  .0806  .6297    .5
Si57  .4000  .0800  .8326    .5
Si58  .6615  .0800  .8282    .5
Si59  .3985  .0662  .9000    .5
Si60  .6491  .0800  .9000    .5
Al1   .2521  .2553  .1333    .5
Al2  -.0040  .2472  .1328    .5
Al3   .0004  .2535  .2686    .5
Al4   .4340  .3465  .3997    .5
Al5   .0077  .2427  .3640    .5
Al6   .0726  .4186  .4325    .5
Al7   .4077  .0671  .0003    .5
Al8   .2398  .2506  .4663    .5
Al9   .3283  .4121  .4327    .5
Al10  .4237  .3190 -.0004    .5
Al11  .6677  .5799  .0999    .5
Al12  .2415  .2426  .2015    .5
Al13  .6621  .5830  .3019    .5
Al14 -.0065  .2462  .2016    .5
Al15  .3295  .4124  .1671    .5
Al16  .0829  .4172  .2349    .5
Al17  .4134  .3326  .3006    .5
Al18  .2500  .2600  .0330    .5
Al19 -.0081  .2543  .0358    .5
Al20  .0037  .2511  .4670    .5
Al21  .6745  .0818  .0999    .5
Al22  .3283  .4117  .2338    .5
Al23  .4101  .0819  .4963    .5
Al24  .0000  .2500  .5321    .5
Al25  .4171  .0862  .3977    .5
Al26  .3400  .4200  .9660    .5
Al27  .2263  .2417  .9300    .5
Al28  .2484  .2498  .2678    .5
Al29  .2451  .2485  .3668    .5
Al30  .5968  .6763  .1682    .5
Al31  .6740  .1070  .4900    .5
Al32  .3300 -.0800  .9680    .5
Al33  .2331  .0150  .9347    .5
Al34  .3191  .4001  .5689    .5
Al35  .0729  .4200  .5640    .5
Al36  .3322  .4164  .0615    .5
Al37  .0808  .4203    1/3    .5
Al38  .3307  .4168  .3341    .5
Al39  .2500  .2500  .5270    .5
Al40  .0813  .4144  .0686    .5
Al41  .0100  .2589  .5991    .5
Al42  .2500  .2500  .6010    .5
Al43  .0000  .3000  .7000    .5
Al44  .2473  .2500  .7000    .5
Al45  .0000  .2500  .8000    .5
Al46  .2500  .2500  .7980    .5
Al47  .3417  .4220  .6670    .5
Al48  .0800  .4000  .6600    .5
Al49  .3400  .4100  .7700    .5
Al50  .0888  .4390  .7650    .5
Al51  .3190  .4040  .8660    .5
Al52  .0700  .4160  .8700    .5
Al53  .3948  .0856  .7350    .5
Al54  .4100  .3300  .7350    .5
Al55  .4114  .0846  .6290    .5
Al56  .6521  .0806  .6297    .5
Al57  .4000  .0800  .8326    .5
Al58  .6615  .0800  .8282    .5
Al59  .3985  .0662  .9000    .5
Al60  .6491  .0800  .9000    .5
O1     .082   .542  .0676
O2     .078   .541  .3370
O3     .011   .331  .2518
O4     .010   .684  .1820
O5     .121   .237  .2720
O6     .223   .450  .2335
O7     .113   .236  .2045
O8     .125   .253  .1347
O9     .440   .220  .3025
O10    .005   .332  .1500
O11    .440   .221  .1020
O12    .343   .340  .1163
O13    .320   .000  .0830
O14    .460   .534  .1697
O15    .672   .008  .2857
O16    .343   .005  .1858
O17    .322   .341  .3528
O18    .080   .550  .2383
O19   -.011   .653  .2176
O20    .322   .339  .2508
O21    .316   .317  .1506
O22    .336   .017  .2860
O23    .223   .112  .2018
O24    .340   .335  .3836
O25    .008   .337  .3520
O26    .335   .020  .3812
O27    .040   .384  .0500
O28    .341   .006  .1190
O29    .239   .123  .2675
O30    .346   .362  .4510
O31    .335   .024  .4170
O32    .021   .330  .4492
O33    .276  -.011  .4864
O34    .305   .305  .0143
O35    .552   .452  .3005
O36    .108   .554  .4300
O37    .672   .009  .0800
O38    .128   .236  .4760
O39    .120   .230  .3650
O40    .530   .070  .0930
O41    .659   .639  .0205
O42    .339   .006  .2173
O43    .663  -.004  .3160
O44    .008   .335  .3198
O45    .467   .245  .4002
O46    .340   .330  .0490
O47    .229   .115  .1336
O48    .245   .122  .3620
O49    .387   .030  .9810
O50    .217   .434  .1674
O51    .670   .030  .5100
O52    .208   .419  .4280
O53    .322   .001  .5150
O54    .040   .394  .5430
O55    .300   .320  .5485
O56    .520   .480  .3926
O57    .241   .114  .4613
O58    .300   .340  .4860
O59    .210   .410  .3330
O60    .130   .250  .5970
O61    .240   .130  .5990
O62    .110   .250  .7000
O63    .115   .218  .7950
O64    .091   .533  .6661
O65    .210   .410  .7650
O66    .110   .560  .8712
O67    .200   .415  .8700
O68    .530   .080  .7369
O69    .380   .200  .7296
O70    .460   .240  .6290
O71    .530   .061  .6340
O72    .460   .240  .8300
O73    .530   .080  .8282
O74    .536   .113  .8972
O75    .528   .070  .0003
O76    .007   .311  .6418
O77    .325   .323  .4160
O78    .340   .030  .8150
O79    .000   .350  .6798
O80    .107   .231  .5300
O81    .550   .120  .4900
O82    .400   .330  .8080
O83    .310   .400  .6900
O84    .476   .552  .9630
O85    .287   .303  .9110
O86    .030   .400  .8480
O87    .230   .440  .0635
O88    .340   .385  .7500
O89    .020   .660  .8450
O90    .430   .220  .9020
O91    .250   .120  .0300
O92    .235   .108  .5341
O93    .353   .336  .9807
O94    .097   .560  .7650
O95    .242   .462  .9668
O96    .327   .334  .5838
O97    .372   .364  .6139
O98    .010   .330  .5819
O99    .330  -.010  .9490
O100   .020   .360  .7200
O101   .250   .110  .6998
O102   .350   .360  .7150
O103   .220   .110  .8001
O104   .000   .350  .7830
O105   .759   .234  .4994
O106   .005   .346  .6150
O107   .320   .000  .9200
O108   .305   .330  .8862
O109   .020   .360  .7500
O110   .360  -.030  .8870
O111   .240   .140  .9400
O112   .206   .406  .5667
O113   .090   .560  .5640
O114   .319   .389  .7900
O115   .216   .393  .6600
O116   .320   .340  .9464
O117   .340   .380  .6450
O118   .120   .240  .0290
O119   .410   .180 -.0037
O120   .110   .240  .9324
Ca1       0      0  .2780    .5
Ca2       0      0  .2850    .5
Ca3       0      0  .0413    .5
Ca4       0      0  .0300    .5
Ca5       0      0  .4607
Ca6       0      0  .7061    .5
Ca7       0      0  .7200    .5
Ca8       0      0  .9424
Ca9       0      0  .1287
Ca10      0      0  .3583 .3333
Ca11      0      0  .3660 .3333
Ca12      0      0  .3500 .3333
Ca13      0      0  .1978    .5
Ca14      0      0  .2050    .5
Ca15      0      0  .8094
Ca16      0      0  .5297
Ca17      0      0  .6019    .5
Ca18      0      0  .6170    .5
Ca19    1/3    2/3  .1564
Ca20    1/3    2/3  .3284    .5
Ca21    1/3    2/3  .3200    .5
Ca22    1/3    2/3  .4250
Ca23    1/3    2/3  .0688
Ca24    1/3    2/3  .5703    .5
Ca25    1/3    2/3  .5750    .5
Ca26    1/3    2/3  .9542    .5
Ca27    1/3    2/3  .9730    .5
Ca28    1/3    2/3  .2230    .5
Ca29    1/3    2/3  .2460    .5
Ca30    1/3    2/3  .8696
Ca31    1/3    2/3  .6700
Ca32    1/3    2/3  .7600    .5
Ca33    1/3    2/3  .7800    .5
Ca34    2/3  .3333  .3892
Ca35    2/3  .3333  .0900    .5
Ca36    2/3  .3333  .1000    .5
Ca37    2/3  .3333  .0000
Ca38    2/3  .3333  .4915    .5
Ca39    2/3  .3333  .4820    .5
Ca40    2/3  .3333  .2950
Ca41    2/3  .3333  .7291    .5
Ca42    2/3  .3333  .7450    .5
Ca43    2/3  .3333  .9009    .5
Ca44    2/3  .3333  .9100    .5
Ca45    2/3  .3333  .6355
Ca46    2/3  .3333  .8350
Ca47  .0095  .0491  .2001
Ca48  .2188  .0388  .2974
K1     .423   .208  .1665
K2     .146   .296  .3999
K3     .224   .109  .0646
Na1    .150   .073  .2324
Na2    .493   .511  .3686
Na3    .405   .206  .9640
Na4    .300   .158  .5652
Na5    .350   .177  .4329
Na6   -.003   .496  .2670
Na7   -.003   .493  .1341
S1      2/3    1/3  .5912
O121    2/3    1/3  .6100
O122   .600   .200  .5860
S2      2/3    1/3  .7956
O123    2/3    1/3  .7756
O124  .6067  .3833  .8056
S3        0      0  .8950
O125      0      0  .9150
O126   .070   .140  .8890
S4      2/3    1/3  .4266
O127    2/3    1/3  .4466
O128   .620   .410  .4300
S5      2/3    1/3  .9519
O129    2/3    1/3  .9719
O130   .606   .383  .9419
S6      1/3    2/3  .4703
O131    1/3    2/3  .4503
O132   .390   .620  .4800
S7      1/3    2/3  .6189
O133    1/3    2/3  .6389
O134   .390   .620  .6100
S8      2/3    1/3  .5363
O135    2/3    1/3  .5173
O136   .607   .383  .5463
S9      2/3    1/3  .3400
O137    2/3    1/3  .3600
O138   .607   .383  .3300
S10       0      0  .4073
O139      0      0  .4273
O140   .140   .070  .3983
S11     1/3    2/3  .9159
O141    1/3    2/3  .8960
O142   .390   .620  .9260
S12     1/3    2/3  .5282
O143    1/3    2/3  .5080
O144   .390   .620  .5380
S13     1/3    2/3  .3756
O145    1/3    2/3  .3956
O146   .390   .620  .3650
S14     2/3    1/3  .1383
O147   .600   .200  .1280
O148    2/3    1/3  .1580
S15     1/3    2/3  .0247
O149   .390   .620  .0350
O150    1/3    2/3  .0050
S16     2/3    1/3  .2492
O151    2/3    1/3  .2690
O152   .600   .200  .2400
S17     1/3    2/3  .1100
O153    1/3    2/3  .1300
O154   .390   .620  .1000
S18     1/3    2/3  .7100
O155    1/3    2/3  .7300
O156   .390   .620  .7000
S19     2/3    1/3  .6886
O157    2/3    1/3  .6686
O158   .606   .383  .7006
S20     1/3    2/3  .8247
O159    1/3    2/3  .8450
O160   .390   .620  .8157
S21     2/3    1/3  .0492
O161    2/3    1/3  .0302
O162   .607   .383  .0592
S22       0      0  .0893
O163      0      0  .0693
O164   .100   .075  .1000
S23       0      0  .6593
O165      0      0  .6793
O166   .140   .070  .6503
S24       0      0  .7593
O167      0      0  .7793
O168   .140   .070  .7503
S25       0      0  .8553
O169      0      0  .8360
O170   .100   .080  .8650
S26     2/3    1/3  .1900
O171    2/3    1/3  .2100
O172   .600   .200  .1820
Cl1     1/3    2/3  .2850
Cl2       0      0  .3160
Cl3       0      0  .9700
Wat1    2/3    1/3  .8700
Wat2    1/3    2/3  .1900
Wat3      0      0  .1621
Wat4      0      0  .2500
Wat5      0      0  .4921
Wat6      0      0  .5621
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pezzottaite
 
Yakubivich O V, Pekov I V, Steele I M, Massa W, Chukanov N V
 
Crystallography Reports 54 (2009) 399-412
Alkali metals in beryl and their role in the formation of derivative structural motifs:
Comparative crystal chemistry of vorobyevite and pezzottaite
Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar
Note: T = 100 K
_database_code_amcsd 0012413
15.955 15.955 27.810 90 90 120 R-3c
atom        x       y       z  occ  Uiso
Cs1         0       0  .08211 .725 .0109
Cs2         0       0     .25 .799 .0147
Na1         0       0       0 .275  .016
Na2         0       0   .1642 .201  .054
Al1       2/3  .00060    1/12      .0051
Al2   -.00537     1/3    1/12      .0048
Be      .3379   .1704  .08405      .0092
Li      .5029   .5029     .75
Si1    .04514  .21958 -.00087      .0047
Si2    .21996  .05024  .16537      .0043
Si3    .04988 -.17024  .16640      .0043
O1      .2763   .0641  .21529      .0093
O2      .0700   .2807 -.05057      .0094
O3      .0606  -.2284  .12294      .0132
O4      .2888   .0738  .11915      .0088
O5      .0522   .2824  .04492      .0127
O6      .0680  -.2048  .21771      .0097
O7     -.0587   .1201 -.00490      .0104
O8     -.0534  -.1736  .16590      .0093
O9      .1265  -.0561  .16022      .0112
Wat10   -.038   -.038     .25 .071   .10
Wat11    .026    .003    .084 .107  .099
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Beryl
Download hom/beryl.pdf
Yakubivich O V, Pekov I V, Steele I M, Massa W, Chukanov N V
 
Crystallography Reports 54 (2009) 399-412
Alkali metals in beryl and their role in the formation of derivative structural motifs:
Comparative crystal chemistry of vorobyevite and pezzottaite
Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia
Note: T = 100 K
Note: variety vorobyevite
Note: Coordinates of O1 and O2 corrected by Yakubivich
_database_code_amcsd 0012414
9.2101 9.2101 9.2179 90 90 120 P6/mcc
atom      x       y      z  occ  Uiso
Cs        0       0    .25 .079 .0322
Wat       0       0    .25  .19 .0322
Na1       0       0      0 .155  .014
Na2    .204    .159   .231 .010  .046
Na3    .095    .118   .201 .012  .046
Li       .5       0    .25  .22 .0090
Be       .5       0    .25  .78 .0090
Al      2/3     1/3    .25      .0082
Si   .38846  .11726      0      .0083
O1   .49888  .14661 .14500      .0107
O2   .23580 -.07170      0      .0121
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Afwillite
Download hom/afwillite.pdf
Rastsvetaeva R K, Chukanov N V, Zadov A E
 
Crystallography Reports 54 (2009) 418-422
Refined structure of afwillite from the northern Baikal region
Locality: Yoko Dovyrensky massif, northern Baikal region, Russia
_database_code_amcsd 0012415
16.330 5.6389 11.685 90.08 126.446 89.95 P1
atom     x     y     z Biso
Ca1  .1107 .4885 .6475 1.27
Ca2  .6079 .9944 .6464 1.08
Ca3  .1105 .0901 .1474 1.22
Ca4  .6081 .5930 .1463 1.13
Ca5  .9249 .0045 .5663 1.02
Ca6  .4241 .5046 .5676 1.08
Ca7  .9932 .5143 .8307 1.40
Ca8  .4917 .0125 .8255 1.16
Ca9  .4242 .0779 .0653  .99
Ca10 .9250 .5798 .0689 1.06
Ca11 .9925 .0706 .3303 1.41
Ca12 .4924 .5693 .3257 1.15
OW1  .8423 .9316 .0882  1.2
OW2  .3429 .4428 .0933  2.2
OW3  .8424 .6506 .5878  1.4
OW4  .3423 .1446 .5919  1.9
OW5  .6705 .0148 .0895  2.8
OW6  .6746 .5753 .5957 2.61
OW7  .1719 .5095 .0949 1.74
OW8  .1680 .0704 .5910 1.86
Si1  .8848 .5087 .3508 1.29
Si2  .3881 .0327 .3612  .32
Si3  .1369 .9873 .8602  .80
Si4  .6335 .4947 .8543 1.14
Si5  .8880 .0634 .8583  .84
Si6  .3854 .5592 .8557 1.01
Si7  .1348 .5929 .3578  .82
Si8  .6356 .0933 .3566 1.09
O1   .0654 .7773 .7531  1.3
O2   .5656 .2668 .7526  1.1
O3   .3628 .9518 .2011  1.4
O4   .8630 .4491 .2004  1.4
O5   .0753 .2305 .7809  1.3
O6   .5738 .7358 .7751  1.3
O7   .2793 .0197 .3349  1.0
O8   .7773 .5213 .3354  1.6
O9   .0655 .8133 .2518  1.3
O10  .5655 .3123 .2537  1.1
O11  .8632 .1346 .7006  1.4
O12  .3624 .6325 .7012  1.4
O13  .4441 .2750 .4161  1.8
O14  .9462 .7693 .4207  1.1
O15  .0767 .3514 .2786   .9
O16  .5728 .8498 .2783  1.5
O17  .4454 .3071 .9192  1.7
O18  .9453 .8172 .9180  1.1
O19  .9601 .3099 .4643  1.3
O20  .4593 .8049 .4617  1.1
O21  .4589 .7789 .9596  1.3
O22  .9599 .2746 .9651  1.1
O23  .7784 .0665 .8351  1.1
O24  .2791 .5622 .8373  1.4
Oh1  .7453 .4838 .8708  1.2
Oh2  .2439 .9904 .8744  1.5
Oh3  .6655 .4492 .0149  1.7
Oh4  .1641 .6303 .5137  1.6
Oh5  .1671 .9552 .0167  1.2
Oh6  .6688 .1328 .5179  1.3
Oh7  .7462 .0967 .3753  1.3
Oh8  .2434 .5975 .3685  1.4
H1     .75   .04   .31
H2     .76   .55   .81
H3     .24   .56   .31
H4     .24   .05   .81
H5     .21   .01   .10
H6     .32   .56   .06
H7     .82   .07   .06
H8     .70   .54   .08
H9     .81   .54   .56
H10    .34  -.01   .61
H11    .21   .56   .60
H12    .71   .05   .59
H13    .69   .43   .59
H14    .30   .20   .58
H15    .79   .70   .59
H16    .18   .66   .06
H17    .20   .09   .68
H18    .87   .76   .18
H19    .67   .25   .06
H20    .70   .49   .69
H21    .35   .36   .07
H22    .16   .44   .03
H23    .17  -.09   .57
H24    .65  -.05   .03
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Zanazziite
Download hom/zanazziite.pdf
Rastsvetaeva R K, Rozenberg K A, Chukanov N V, Mockel S
 
Crystallography Reports 54 (2009) 568-571
The crystal structure of an iron-rich variety of zanazziite belonging to
heteropolyhedral framework roscherite-group beryllophosphates
Locality: Sapucaia mine, Minas Gerais, Brazil
_database_code_amcsd 0012416
15.876 11.860 6.607 90 95.490 90 C2/c
atom     x     y     z occ Biso
CaA      0 .2594   .25     1.38
MgA1     0     0     0 .65  .46
FeA1     0     0     0 .35  .46
MgB2 .1714 .1630 .9958 .48 1.25
FeB2 .1714 .1630 .9958 .31 1.25
AlB  .1714 .1630 .9958 .13 1.25
MnB  .1714 .1630 .9958 .09 1.25
Be   .3327 .1774 .3032      1.2
P1   .1877 .1162 .4776      .89
P2       0 .2726   .75     1.01
O1   .3557 .4981 .5003      1.4
O2   .2825 .0996 .4499      1.3
O3   .1445 .1826 .2969      1.2
O4   .3196 .3155 .3247      1.1
O5   .4583 .3002 .0747      1.6
O6   .4343 .1510 .3416      1.4
Oh1  .2998 .1642 .0635      1.3
Wat1     0 .0403   .25  .5  1.6
OH2      0 .0403   .25  .5  1.6
OW2  .0933 .4197 .2196      3.7
H1    .077  .484   .18      3.0
H2    .175  .377   .98      3.0
H3    .124  .421   .32      3.0
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Cancrinite
Download hom/cancrinite.pdf
Rozenberg K A, Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 54 (2009) 793-799
Crystal structures of oxalate-bearing cancrinite with an unusual
arrangement of CO3 groups and sulfate-rich davyne
Locality: Kovdor massif, Kola Peninsula, Russia
Note: Enraf Nonius diffractometer
_database_code_amcsd 0012418
12.688 12.688 5.189 90 90 120 P6_3
atom     x     y     z occ Biso
Na1    2/3   1/3 .1273 .71  2.9
K    .1092 .2215  .298 .06  4.3
Ca     2/3   1/3 .1273 .03  2.9
Si   .3302 .4133 .7506     1.35
Al   .0762 .4141 .7513     1.34
O1   .2031 .4042 .6740      2.3
O2   .1191 .5657 .7278      2.9
O3   .0253 .3536 .0552      2.4
O4   .3220 .3608 .0385      2.4
Na2  .1311 .2635 .2824 .46  3.0
Na3  .1092 .2215  .298 .22  4.3
Na4  .1473 .3011  .284 .26  3.1
C1       0     0  .287 .20  2.8
O5    .115  .057  .285 .20  3.3
C2       0     0  .427 .30  2.4
O6    .090  .095  .491 .30  4.0
Wat   .300  .608  .188 .25  3.8
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Cancrinite
Download hom/cancrinite.pdf
Rozenberg K A, Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 54 (2009) 793-799
Crystal structures of oxalate-bearing cancrinite with an unusual
arrangement of CO3 groups and sulfate-rich davyne
Locality: Kovdor massif, Kola Peninsula, Russia
Note: Bruker SMART CCD diffractometer
_database_code_amcsd 0012419
12.688 12.688 5.189 90 90 120 P6_3
atom     x     y     z occ Biso
Si   .3301 .4131 .7506      1.1
Al   .0762 .4142 .7512      1.1
O1   .2034 .4045 .6747      2.0
O2   .1191 .5653 .7293      2.8
O3   .0260 .3538 .0541      2.1
O4   .3226 .3608 .0375      2.1
Na1    2/3   1/3 .1254 .73  2.5
Ca     2/3   1/3 .1254 .04  2.5
Na2  .1326 .2674 .2883 .52  2.4
Na3  .1102 .2202  .287 .21  4.7
K    .1102 .2202  .287 .05  4.7
Na4  .1539 .3134  .281 .22  2.6
C1       0     0  .297 .20  3.2
O5    .116  .060  .303 .20  5.5
C2       0     0  .512 .30  2.4
O6    .102  .090  .524 .30  5.2
Wat   .306  .620  .190 .25  4.0
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Davyne
Download hom/davyne.pdf
Rozenberg K A, Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 54 (2009) 793-799
Crystal structures of oxalate-bearing cancrinite with an unusual
arrangement of CO3 groups and sulfate-rich davyne
Locality: Sar-e Sang mine, Badakhshan, Afghanistan
_database_code_amcsd 0012420
12.773 12.773 5.334 90 90 120 P6_3
atom     x     y     z occ  Uiso
Na1  .1579 .3108  .268 .50  .025
Na2  .1163 .2292  .267 .37  .049
Ca     2/3   1/3 .2042      .011
K    .1163 .2292  .267 .13  .049
Si   .0811 .4114 .7446     .0098
Al   .3385 .4102 .7440     .0091
O1   .2128 .4253  .704      .019
O2   .1079 .5490  .735      .019
O3   .0234 .3449 .0073      .019
O4   .3275 .3358  .023      .016
Cl     1/3   2/3 .2079      .085
S        0     0  .265 .50  .011
O5    .069  .110   .14 .25  .057
O6    .031  .109   .38 .25  .045
O7       0     0   .51 .50  .069
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Elpidite
Download hom/elpidite.pdf
Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y,
Vigasina M F, Giester G, Dordevic T, Tillmanns E, Chukanov N V
 
Crystallography Reports 56 (2011) 832-841
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
and its K- and Rb-exchanged forms
Locality: Kahn Bogdo, Mongolia
_database_code_amcsd 0018522
7.1312 14.6853 14.6349 90 90 90 Pbcm
atom         x      y      z  occ   Uiso
Na(1)    .4449 .23175    .75       .0477
Na(2)  -.00275    .25     .5       .0151
Zr      .49658    .25     .5      .00804
Si(1)   .77343 .38628 .64604      .01028
Si(2)   .50598 .04735 .64184      .01005
Si(3)   .21944 .39130 .64439      .01016
O(1)    .99571 .40384 .63913       .0179
O(2)     .7195 .35610    .75       .0183
O(3)     .7095 .30908 .57729       .0178
O(4)     .6779 .48448 .62422       .0195
O(5)     .5210 .07108    .75       .0192
O(6)    .49255 .14009 .58783       .0177
O(7)     .3072 .48949 .61315       .0167
O(8)     .2826 .37415    .75       .0177
O(9)     .2893 .30986 .58199       .0174
Wat(1)   .0080 .11320 .58101       .0344
Wat(2)   .1213  .1883    .75       .0650
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Elpidite
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Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y,
Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V
 
Crystallography Reports 56 (2011) 832-841
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
and its K- and Rb-exchanged forms
Locality: Kahn Bogdo, Mongolia
Note: Rb-exchanged at 90 deg C
_database_code_amcsd 0018523
7.1280 14.644 14.642 90 90 90 Pbcm
atom        x      y      z  occ   Uiso
Na(1)   .4421  .2315    .75 .661  .0343
Na(2)  -.0029    .25     .5 .920  .0250
Rb      -.004  .1410  .5789  .10   .037
Zr     .49697    .25     .5      .00939
Si(1)  .77407 .38617 .64615       .0132
Si(2)  .50553 .04747 .64216       .0124
Si(3)  .21932 .39087 .64457       .0128
O(1)    .9961  .4040  .6383       .0242
O(2)    .7207  .3560    .75       .0226
O(3)    .7092  .3091  .5775       .0221
O(4)    .6782  .4846  .6250       .0232
O(5)    .5181  .0727    .75       .0219
O(6)    .4929  .1395  .5872       .0237
O(7)    .3086  .4892  .6148       .0221
O(8)    .2808  .3723    .75       .0225
O(9)    .2897  .3097  .5816       .0218
Wat(1)  .0088  .1145  .5805  .91  .0257
Wat(2)  .1251  .1869    .75  .67   .047
Wat(3)   .014   .176   .797  .10   .040
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Elpidite-Rb
 
Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y,
Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V
 
Crystallography Reports 56 (2011) 832-841
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
and its K- and Rb-exchanged forms
Locality: Kahn Bogdo, Mongolia
Note: Rb-exchanged at 150 deg C
_database_code_amcsd 0018524
14.2999 14.4408 14.7690 90 90 90 Cmca
atom        x      y      z  occ   Uiso
Rb(1)      .5  .2509  .5093 .079   .035
Rb(2)      .5 .13663 .58254  .75  .0340
Rb(3)      .0  .3638 .07055  .61  .0377
Rb(4)      .0   .386  .0733  .22   .073
Rb(5)      .5  .1391   .597  .11   .099
Na        .25   .236    .75  .06   .067
Zr        .25    .25     .5      .01018
Si(1)  .39070 .10779 .36275      .01381
Si(2)  .38954 .38148 .65364      .01386
Si(3)  .24382 .04903 .64483      .01324
O(1)    .1522  .1960 .40971       .0254
O(2)    .1521 .01643  .3665       .0249
O(3)      .25  .0803    .75       .0270
O(4)    .2332 .13556 .58132       .0253
O(5)       .0  .1084  .3670       .0296
O(6)    .3371 -.0103  .6221       .0249
O(7)    .3751  .3566 .75949       .0280
O(8)    .3624  .1858 .43343       .0223
O(9)       .5  .0790  .3775       .0244
Wat(1)  .0648  .3294  .2436 .404   .043
Wat(2)     .0   .190   .733  .10   .041
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Lahnsteinite
 
Rastsvetaeva R K, Aksenov S M, Chukanov N V, Verin I A
 
Crystallography Reports 57 (2012) 737-741
Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O
Locality: Friedrichssegen deposit, Rhineland-Palatinate, Germany
_database_code_amcsd 0020053
8.312 14.545 18.504 89.71 90.05 90.13 P1
atom      x     y      z Biso
Zn1   .0985 .3183  .5000  1.8
Zn2   .6049 .8218  .4849  1.4
Zn3   .4069 .1707  .5099  2.6
Zn4   .9109 .6736  .4917  1.9
Zn5   .4777 .3919  .5048  2.8
Zn6   .9756 .8965  .4825  2.0
Zn7   .6763 .0273  .5037  2.7
Zn8   .1765 .5274  .5161  1.3
Zn9   .0480 .1005  .4997  2.0
Zn10  .5429 .6007  .5086  1.8
Zn11  .7471 .2483  .4964  1.7
Zn12  .2435 .7467  .5053  1.7
Zn13  .5700 .3163  .0018  2.5
Zn14  .0716 .8182  .0012  1.9
Zn15  .0944 .4007  .0030  2.1
Zn16  .2300 .2586  .0271  2.3
Zn17  .4549 .9017 -.0003  1.5
Zn18  .7315 .7624  .0105   .7
Zn19  .5299 .1070 -.0094  1.5
Zn20  .0318 .6069 -.0002  1.0
Zn21  .1561 .0298  .0002  1.9
Zn22  .6567 .5308  .0057  1.1
Zn23  .8798 .1674 -.0089  1.4
Zn24  .3766 .6652 -.0021  2.2
Zn25  .3317 .9638  .4023  2.3
Zn26  .8328 .4638  .4205  2.1
Zn27  .8311 .4653  .5975  3.1
Zn28  .3260 .9653  .5950  2.6
Zn29  .8009 .9610  .0979  2.1
Zn30  .3007 .4629  .0968  1.5
Zn31  .8108 .9632  .8983  2.5
Zn32  .3080 .4618  .9095  1.0
S1     .827  .137   .347  2.5
S2     .328  .633   .361  2.8
S3     .319  .295   .669  2.7
S4     .823  .795   .653  2.6
S5     .804  .289   .153  1.7
S6     .308  .792   .152  2.0
S7     .319  .134   .859  3.7
S8     .822  .636   .846  1.7
O1     .918  .060   .316  2.0
O2     .810  .137   .430    1
O3     .435  .568   .322  1.4
O4     .319  .290   .585  1.2
O5     .327  .633   .439    1
O6     .820  .797   .570  1.3
O7     .496  .298   .679  1.0
O8    -.007  .810   .674  1.2
O9     .381  .725   .340    3
O10    .229  .376   .686  2.3
O11    .716  .863   .682  1.4
O12    .902  .231   .324    3
O13    .647  .120   .334    3
O14    .163  .625   .329  2.4
O15    .699  .363   .186   .3
O16    .201  .864   .177  1.8
O17    .964  .312   .185   .3
O18    .250  .213   .674  2.3
O19    .300  .790   .070  4.0
O20    .465  .798   .175  1.5
O21    .762  .703   .677    3
O22    .818  .283   .070  2.6
O23    .734  .201   .178   .3
O24    .217  .699   .163    2
O25    .804  .635   .925  1.3
O26    .300  .140   .940   .3
O27    .340  .237   .850  2.5
O28    .431  .072   .854    3
O29    .144  .133   .849  2.8
O30    .863  .711   .807  3.5
O31    .657  .618   .806  2.9
O32    .917  .568   .807  3.0
OH1    .117  .993   .436  2.6
OH2    .614  .488   .439  2.3
OH3    .490  .070   .438   .1
OH4    .981  .562   .435   .2
OH5    .167  .188   .451   .9
OH6    .621  .169   .546  1.1
OH7    .679  .700   .456  1.2
OH8    .371  .843   .444   .5
OH9    .898  .346   .441  1.3
OH10   .252  .418   .443   .3
OH11   .115  .655   .554   .7
OH12   .745  .910   .453   .3
OH13   .039  .773   .446   .9
OH14   .536  .269   .457    2
OH15   .952  .230   .575  3.3
OH16   .477  .719   .553    2
OH17   .685  .356   .581  1.4
OH18   .166  .864   .574   .2
OH19   .899  .013   .553   .2
OH20   .565  .986   .928  1.5
OH21   .396  .520   .555  1.2
OH22   .080  .491   .939    2
OH23   .975  .045   .934  1.1
OH24   .091  .136   .055   .7
OH25   .261  .078   .555  1.4
OH26   .466  .549   .936  1.1
OH27   .758  .587   .570  1.3
OH28   .599  .643   .061  1.2
OH29   .033  .434   .564   .6
OH30   .542  .935   .577  1.5
OH31   .678  .212   .947   .4
OH32   .159  .704   .956   .6
OH33   .721  .399   .967    2
OH34   .223  .913   .957    2
OH35   .231  .585   .062   .7
OH36   .754  .092   .063  1.7
OH37   .433  .230   .065    1
OH38   .377 -.001   .048    2
OH39   .939  .730   .051  1.0
OH40   .871  .822   .923  2.6
OH41   .378  .329   .942    3
OH42   .874  .502   .054    2
OH43   .519  .417   .061    2
OH44   .515  .775  -.065   .8
OH45   .656  .884   .041  1.1
OH46   .027  .279   .956   .4
OH47   .168  .373   .054  1.2
OH48   .039  .936   .071  1.0
Wat1   .306  .460   .208  2.5
Wat2   .767  .985   .207    4
Wat3   .187  .853   .796  1.5
Wat4   .048  .293   .305    3
Wat5   .044  .567   .696  5.7
Wat6  -.004  .784   .279  2.9
Wat7   .939  .097   .696    2
Wat8   .693  .347   .798    3
Wat9   .107  .142   .217  1.6
Wat10  .643  .646   .210   .9
Wat11  .150  .420   .310  2.5
Wat12  .700  .820   .310  2.7
Wat13  .011 -.751  -.196  2.6
Wat14 -.514 -.282  -.229  2.5
Wat15  .376  .964   .288  2.0
Wat16  .848  .458   .308    2
Wat17  .339  .966   .705  2.6
Wat18  .798  .482   .719  3.0
Wat19  .322  .469  -.216  2.4
Wat20  .795  .960  -.218  1.6
Wat21  .124  .577   .692  2.9
Wat22  .590  .101   .699  3.9
Wat23  .398  .103   .204  3.9
Wat24  .941  .658   .205  4.4
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Barylite
Download hom/barylite.pdf
Rastsvetaeva R K, Chukanov N V
 
Doklady Akademii Nauk 388 (2003) 205-207
Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7
Note: polytype barylite-1O
_database_code_amcsd 0019239
11.618 4.904 4.655 89.94 90 90 Pm
atom     x     y     z Biso
Ba1      0 .4649     0 1.48
Ba2     .5 .0588 .4994 1.22
Be1   .249  .086  .014   .8
Be2   .250  .419  .519  1.5
Si1  .3713 .5866 .0244  .91
Si2  .1277 .9361 .5207 1.05
O1   .3631  .903 -.046   .7
O2      .5  .487  .086 1.25
O3       0  .045  .579  1.8
O4   .1398  .609  .453  1.2
O5   .2234  .126  .360   .6
O6   .1336 -.005 -.136   .9
O7   .2772  .397 -.141  1.5
O8   .3684  .533  .363  1.3
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Hydroxylchondrodite
 
Pekov I V, Gerasimova E I, Chukanov N V, Kabalov Y K, Zubkova N V,
Zadov A E, Yapaskurt V O, Gekimyants V M, Pushcharovskii D Y
 
Doklady Akademii Nauk 436 (2011) 526-532
Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group
and its crystal structure
Locality: Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia
_database_code_amcsd 0018887
7.880 4.726 10.290 90 109.04 90 P2_1/c
atom     x     y     z occ Biso
Mg1     .5    .5     0      1.4
Mg2  .3073  .016 .1753      1.0
Mg3  .0780  .498 .8915 .85   .8
Ti3  .0780  .498 .8915 .15   .8
Si   .7029 .0800 .1429      1.2
O1    .294  .777  .003      1.0
O2    .119  .712  .240      1.0
O3    .530  .226  .163      1.2
O4    .300  .262  .856       .8
OH5   .098  .256  .051 .66   .8
F5    .098  .256  .051 .12   .8
O5    .098  .256  .051 .22   .8
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Korobitsynite
 
Rastsvetaeva R K, Chukanov N V, Pekov I V
 
Doklady Akademii Nauk SSSR 357 (1997) 364-367
Crystal structure of a new mineral - titanium analog
of orthorhombic nenadkevichite
_database_code_amcsd 0012492
7.350 14.153 7.124 90 90 90 Pbam
atom     x     y     z occ Biso
Na1  .2636 .2513     0 .51  2.9
Na2  .1979 .0244    .5 .50  3.6
Na3   .192  .005    .5 .08  7.9
TiM  .2856 .2590    .5  .7 1.54
NbM  .2856 .2590    .5  .3 1.54
Si   .0103 .3897 .2252     1.45
O1   .0121 .3816     0      2.8
O2       0    .5 .2838      3.7
O3   .1950 .3454 .3049      2.6
O4   .3323 .1625 .3040      2.5
O5   .0160 .1991    .5      1.8
Ow6   .016 .1616     0 .93  7.5
Ow7      0     0  .273 .92  7.9
H1    .080     0  .150      3.0
H2    .032  .148  .087      3.0
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Novgorodovaite
 
Rastsvetaeva R K, Chukanov N V, Nekrasov Y V
 
Doklady Akademii Nauk SSSR 381 (2001) 353-355
Crystal structure of novgorodovaite, Ca2(C2O4)Cl2*2H2O
_database_code_amcsd 0012496
6.936 7.382 7.443 90 94.3 90 I2/m
atom     x     y      z Biso
Ca   .2514     0 -.1359  .92
C        0 .1053     .5  .99
O1   .1190 .1811  .6106 1.21
Cl   .3585     0  .2350 1.26
Ow2      0 .1891      0 1.36
H     .056  .241   .081    1
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Tsepinite-K
 
Rosenberg K A, Rastsvetaeva R K, Pekov I V, Chukanov N V, Verin I A
 
Doklady Akademii Nauk SSSR 393 (2003) 784-787
Crystal structure of Sr-rich tsepinite
_database_code_amcsd 0012497
14.490 14.23 7.881 90 117.28 90 Cm
atom      x     y     z occ  Uiso
K      .499  .191 -.006 .21  .033
Na     .452  .141  .825 .10  .014
Ca     .452  .141  .825 .10  .014
Ti1   .0000 .2406 .5000  .7 .0249
Nb1   .0000 .2406 .5000  .3 .0249
Ti2   .2427 .2477 .4825  .7 .0296
Nb2   .2427 .2477 .4825  .3 .0296
Sr1   .0006    .0  .473 .20  .018
Sr2    .246    .0  .486 .14  .027
Sr3   .9206 .2401 -.004 .15  .038
Si1   .1991 .1098 .7833      .010
Si2   .7979 .1105 .1978      .025
Si3   .3085 .1088 .2211      .019
Si4   .6846 .1110 .7467      .014
O1     .244 .1286  .008      .037
O2     .761  .132  .981      .058
O3    .2666 .1604  .700      .029
O4    .7263 .1741  .273      .039
O5    .0993 .2398  .389      .008
O6     .904  .236  .593      .061
O7     .198     0  .742      .087
O8     .776     0  .219      .028
O9    .4233  .158  .305      .051
O10   .5832 .1756  .691      .028
O11    .251  .132  .342      .052
O12   .7499 .1463  .646      .030
O13    .322     0  .250       .12
O14   .6545     0  .728      .012
O15   .0849 .1308  .661      .018
O16   .9204  .148  .309      .066
Ba1    .442     0  .696 .04  .075
Wat1   .442     0  .696 .34  .075
Ba2    .586     0  .268 .03  .055
Wat2   .586     0  .268 .11  .055
Ba3    .916     0  .666 .07  .049
Wat3   .916     0  .666 .31  .049
Wat4   .112     0  .311 .38  .059
Wat5   .546  .090  .149 .36  .044
Wat6   .001  .162  .012 .40  .061
Wat7   .480  .155  .973 .20  .040
Wat8   .475  .041  .778 .11  .048
Wat9   .979  .089   .86 .22  .031
Wat10  .588  .265  .990 .15  .025
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Khaidarkanite
 
Rastsvetaeva R K, Chukanov N V, Karpenko V Y
 
Doklady Chemistry 353 (1997) 45-48
Crystal structure of new native compound Cu4Al3(OH)14F3(H2O)2
Locality: Khaidarkan, Kyrgyzstan
_database_code_amcsd 0012502
12.326 2.907 10.369 90 97.90 90 C2/m
atom      x    y     z occ Biso
Cu    .1747    0 .7085     1.21
Al1      .5    0    .5     1.01
Al2       0    0     0 .49  2.9
Oh1  -.0949    0 .5228      1.3
Oh2   .5630    0 .6813      1.3
Oh3   .7780    0 .7160      1.5
F     .5446    0 .1108 .73  4.8
Ow4   .8472    0 .0569      4.6
H1     .146    0  .416
H2     .474    0  .259
H3     .155    0  .220
H4     .168 .263  .998  .5
H5     .235    0  .956  .5
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Tsepinite-Na
 
Rastsvetaeva R K, Organova N I, Rozhdestvenskaya I V, Shlyukova Z V, Chukanov N V
 
Doklady Chemistry 371 (2000) 52-56
Crystal structure of oxonium mineral of the nenadkevichite-labuntsovite group
from Khibiny massif
Locality: Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia
_database_code_amcsd 0012504
14.604 14.274 7.933 90 117.40 90 Cm
atom      x     y     z occ Biso
Na1    .770     0  .475 .47  5.3
Na2    .275     0  .485 .62  6.2
K      .082     0  .301 .38  5.7
Wat    .082     0  .301 .22  5.7
Ba     .892     0  .631 .08  3.2
Sr     .015     0  .495 .20  4.2
Fe     .015     0  .495 .02  4.2
TiM1  .0097 .7643 .4915  .7  2.3
NbM1  .0097 .7643 .4915  .3  2.3
NbM2  .7624 .7487 .4868  .6  3.1
TiM2  .7624 .7487 .4868  .4  3.1
Si1   .2170 .8896 .7800      1.9
Si2   .6982 .8897 .7498      1.3
Si3   .8108 .8901 .1926      1.2
Si4   .3277 .8896 .2265      1.7
OH31   .507  .809  .985 .32  7.8
KOH31  .507  .809  .985 .03  7.8
OH32  -.008  .821  .001 .26  9.8
OH33   .096 .7601 -.016 .39  8.7
O1    .9164 .7581  .589      1.4
O2    .9306 .8642  .306      2.9
O3     .260  .865  .326      3.9
O4    .2745 .8260  .698      4.5
O5    .4402 .8295  .303      2.0
O6    .3615     0  .252      2.1
O7    .2569  .877 -.002      4.4
O8    .2241     0  .752      3.5
O9    .1182 .7682  .383      3.0
O10   .0941 .8647  .660      2.6
O11   .7623 .8593  .630       .7
O12   .7409 .8352  .270      1.1
O13   .5965 .8304  .683      2.2
O14   .6791     0  .734      2.0
O15   .7733 .8644  .972      1.7
O16    .779     0  .195      3.3
Wat1   .445     0  .691      3.2
Wat2   .023     0  .057 .37  8.7
Wat3   .552     0  .171 .71  9.9
Wat4  -.021     0  .783 .20  7.5
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Ikranite
 
Ekimenkova I A, Rastsvetaeva R K, Chukanov N V, Khasanov S S
 
Doklady Chemistry 371 (2000) 65-69
Crystal structure of an oxonium-containing analogue of eudialyte
Locality: Karnasurt Mountains, Lovozero massif, Kola Peninsula, Russia
_database_code_amcsd 0012505
14.167 14.167 30.081 90 90 120 R3m
atom       x     y      z  occ Biso
Zr     .3332 .1666  .1669      1.86
Ca     .4052 .3345  .3337 .550 2.21
Mn     .4052 .3345  .3337 .233 2.21
Ce     .4052 .3345  .3337 .083 2.21
Na     .4052 .3345  .3337 .075 2.21
Sr     .4052 .3345  .3337 .059 2.21
Si1    .0832 .5416  .2573       2.1
Si2    .1406 .0703  .0804       2.0
Si3    .0550 .3249  .2366       1.5
Si4    .2056 .4112  .0788       2.7
Si5    .5266 .2633  .2538       1.7
Si6   -.0073 .6052  .0971       1.6
O1     .0218 .5109  .3017       3.9
O2     .4127 .3092  .1278       2.3
O3     .4021 .0342  .0451       4.1
O4     .0359 .2993  .2881       4.0
O5     .0939 .3738  .1073       2.7
O6     .3912 .4377  .2260       2.5
O7     .2584 .0284  .2053       3.1
O8     .4452 .2226  .2938       5.8
O9     .1765 .3530  .2202       2.5
O10    .1912 .0956  .1259       3.2
O11    .1808 .3616  .0284       3.6
O12    .6060 .3940  .2537       3.1
O13    .2208 .1104  .0389       4.0
O14    .3951 .6049  .2540       4.8
O15    .0185 .5092  .1046       4.0
O16    .0617 .1234  .0740       2.5
O17    .2725 .5450  .0709       5.0
O18    .4692 .2346  .2045       3.4
Fe     .1573 .3146  .3349  .70  4.6
ZrM1     1/3   2/3  .0306 .086  1.9
NbM1     1/3   2/3  .0306 .032  1.9
TiM1     1/3   2/3  .0306 .032  1.9
ZrM2     1/3   2/3  .2875 .163  2.8
NbM2     1/3   2/3  .2875 .068  2.8
TiM2     1/3   2/3  .2875 .068  2.8
Zr       1/3   2/3  .2271  .15  2.2
Si7      1/3   2/3  .0859  .30  1.7
Nal    .5324 .4676  -.003  .30  9.3
Na2a   .5681 .4319  .1730  .70  1.3
Na2b   .5450 .4550  .1789  .30  2.6
Na3    .1948 .0974  .2874  .65  2.5
K3     .1948 .0974  .2874  .10  2.5
Sr3    .1948 .0974  .2874  .05  2.5
Na     .1110 .2220  .1528 .495  2.2
H3O    .1110 .2220  .1528 .165  2.2
Na2    .4648 .2324  .0484 .615  1.4
H3O2   .4648 .2324  .0484 .205  1.4
H3O3   .0808 .1616  .1663  .34    3
H3O4    .492  .246   .035  .18  1.2
H3O5    .134  .067   .279  .20  1.9
OH1      1/3   2/3   .137  .30    7
OH2     .391  .609   .159  .22    4
OH3     .259  .518  .3307  .70  6.5
OH4     .420  .580 -.0009  .70  7.1
Cl       1/3   2/3   .150  .26  5.3
Watla     .0    .0  .2250   .7  1.5
Watlb     .0    .0   .199   .3  1.4
Wat2     2/3   1/3  .0999       2.5
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Raslakite
 
Ekimenkova I A, Rastsvetaeva R K, Chukanov N V
 
Doklady Chemistry 374 (2000) 195-198
Ordering of calcium and iron in a mineral of the eudialyte group with the symmetry R3
Locality: Lovozero massif, Kola Peninsula, Russia
_database_code_amcsd 0012506
14.229 14.229 30.019 90 90 120 R3
atom        x     y      z  occ Biso
Zr      .3334 .1667  .1666      1.65
Si1     .1396 .0662  .0819      1.53
Si2     .5262 .2597  .2520      1.64
Si3     .4585 .5420  .2582      1.36
Si4     .2084 .4168  .0756      1.64
Si5a    .2712 .3258  .2371      1.29
Si5b    .0575 .3279  .2369      1.15
Si6a    .9914 .6030  .0968      1.24
Si6b    .9936 .3913  .0969      1.08
Ola     .0617 .1225  .0782       2.4
O1b     .2236 .1048  .0412       3.1
O2      .1886 .0891  .1320       3.0
O3a     .2635 .2305  .2074       2.3
O3b     .2587 .2969  .2895       1.9
O4a     .1789 .3519  .2195       1.6
O4b     .3904 .4316  .2263       2.2
O5      .0249 .5106  .3054       1.9
O6a     .2139 .6074  .2529   .5  2.6
O6b      .396  .611  .2725   .5  4.1
O7a     .0530 .4369  .2269       2.7
O7b     .0437 .2992  .2894       1.9
O8      .1771 .3582  .0297       2.7
O9      .2717 .5434  .0724       4.2
O10a    .1064 .3899  .1066       2.2
Ol0b    .2772 .3777  .1075       2.0
O11a    .4378 .2132  .2897       3.0
Ollb    .4750 .2337  .2039       2.6
O12     .6050 .2100  .2563       2.0
O13     .2600 .0277  .2067       2.4
O14     .6256 .0352  .0449       2.1
O15a    .4054 .2997  .1266       2.3
O15b    .0207 .5137  .1132       2.2
O16     .6218 .5885  .0451       1.9
O17     .4088 .1039  .1269       2.2
FeMla   .0005 .2642  .0001 .733 1.73
CaMla   .0005 .2642  .0001 .167 1.73
MnMla   .0005 .2642  .0001   .1 1.73
CaM1b   .2596 .2601  .0000   .9 1.61
CeM1b   .2596 .2601  .0000   .1 1.61
ZrM2.4  .5021 .0065 -.0004 .267 1.79
HfM2.4  .5021 .0065 -.0004 .033 1.79
MnM2.5a .1496 .3025  .3365  .20 1.07
NaM2.5b .5229 .0515 -.0042  .50 2.04
NbM3      1/3   2/3  .2942  .20 2.56
TiM3      1/3   2/3  .2942  .15 2.56
MgM3      1/3   2/3  .2942  .15 2.56
SiM3a     1/3   2/3  .2477  .40  2.1
AlM3a     1/3   2/3  .2477  .10  2.1
Si7       1/3   2/3  .0877  .50  1.8
Si7a      1/3   2/3  .0505  .40  2.0
Al7a      1/3   2/3  .0505  .10  2.0
Na1a    .2562 .5244  .1855  .45  4.4
Na1b     .172  .566  .1605  .35  5.3
Na1c     .378  .552  .1629  .20  6.0
Na2a    .5536 .4425  .1777  .38 2.49
Ca2a    .5536 .4425  .1777  .07 2.49
Na2b    .5849 .4159  .1633 .518  3.3
Ca2b    .5849 .4159  .1633 .032  3.3
Na3     .4595 .2304  .0495 .933  2.6
Ca3     .4595 .2304  .0495 .067  2.6
Na4a    .2216 .1098  .2820  .40 2.62
Sr4a    .2216 .1098  .2820  .05 2.62
K4a     .2216 .1098  .2820  .05 2.62
Na4b    .1940 .0980  .2893 .466 1.93
Sr4b    .1940 .0980  .2893 .017 1.93
K4b     .1940 .0980  .2893 .017 1.93
Na5     .1097 .2162  .1535       4.3
O18a     .197  .591  .0063  .15  1.5
OH18a    .197  .591  .0063  .05  1.5
O18b        0     0   .333  .38  6.4
OH18b       0     0   .333  .12  6.4
O19     .6234 .3959 -.0025  .38  4.8
OH19    .6234 .3959 -.0025  .12  4.8
O20a      1/3   2/3  .1402  .38  1.2
OH20a     1/3   2/3  .1402  .12  1.2
O20b      1/3   2/3  .1968  .38  4.3
OH20b     1/3   2/3  .1968  .12  4.3
Cl1a        0     0  .2343  .50  3.2
Cl1b        0     0  .2592  .30  3.2
Cl1c        0     0  .2869  .20  4.8
Wat2a     2/3   1/3  .0848  .75  3.1
Wat2b     2/3   1/3  .1054  .25  5.4
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Greifensteinite
 
Rastsvetaeva R K, Gurbanova O A, Chukanov N V
 
Doklady Chemistry 383 (2002) 78-81
Crystal structure of greifensteinite
Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4*6H2O
Locality: Greifenstein, Saxony, Germany
_database_code_amcsd 0012508
15.903 11.885 6.677 90 94.68 90 C2/c
atom     x     y     z occ  Biso
Ca       0 .2580   .25     1.634
Be   .3323 .1746  .299      1.49
Fe   .1708 .1619 .9966  .8  1.20
Al   .1708 .1619 .9966  .1  1.20
Mg   .1708 .1619 .9966  .1  1.20
Mn       0     0     0 .35  1.33
P1   .1867 .1182 .4783      1.03
P2       0 .2740   .75      1.26
O1   .3580 .4955 .4936      1.50
O2   .2804 .0978 .4465      1.52
O3   .1432 .1831 .3010      1.65
O4   .3194 .3132 .3272      1.46
O5   .4617 .2993 .0741      1.97
O6   .4327 .1492 .3333      1.98
OH   .3007 .1623 .0647      1.54
Ow1  .0939 .4190 .2255      2.09
Wat2     0 .0409   .25 .65  3.98
OH2      0 .0409   .25 .35  3.98
H1    .079  .494 .1939         4
H2    .135  .411  .315         5
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Alsakharovite-Zn
 
Rozenberg K A, Rastsvetaeva R K, Pekov I V, Chukanov N V
 
Doklady Chemistry 383 (2002) 110-113
New Zn-rich representative of the labuntsovite group:
crystal structure and microtwinning
Locality: Lovozero alkaline massif, Kola Peninsula, Russia
Note: x-coordinate of O15 was changed
_database_code_amcsd 0018493
14.491 13.911 7.822 90 117.59 90 Cm
atom        x     y     z occ Biso
Ti(1)  -.0002 .2316 .5002  .7 1.82
Nb(1)  -.0002 .2316 .5002  .3 1.82
Ti(2)   .2514 .2498 .4956  .7 1.92
Nb(2)   .2514 .2498 .4956  .3 1.92
Si(1)   .2114 .1082 .8006      1.6
Si(2)   .7965 .1104 .1970      1.2
Si(3)   .3201 .1099 .2438      1.7
Si(4)   .6888 .1111 .7510      1.1
Zn      .0012     0 .4978 .90 1.97
Fe      .0012     0 .4978 .05 1.97
Mn      .0012     0 .4978 .05 1.97
Na       .923 .2367  .011  .5  3.0
Ca       .923 .2367  .011  .5  3.0
Sr      .5067 .1799  .003  .7 3.65
Na      .5067 .1799  .003  .3 3.65
K       .5757     0  .278  .5  5.8
Wat     .5757     0  .278  .5  5.8
H       .5757     0  .278  .5  5.8
Wat      .429     0  .737 .47 10.2
H        .429     0  .737 .47 10.2
O(1)    .2418 .1290  .022      3.1
O(2)    .7750 .1289  .979      1.6
O(3)    .2730 .1789  .734      1.9
O(4)    .7303 .1839  .265      1.9
O(5)    .1020 .2317  .385 .65  1.2
OH(5)   .1020 .2317  .385 .35  1.2
O(6)     .905 .2293  .602 .65  3.1
OH(6)    .905 .2293  .602 .35  3.1
O(7)    .2478     0  .788      2.4
O(8)    .7579     0  .207      1.8
O(9)    .4201 .1763  .305      1.5
O(10)   .5873 .1844  .696      3.2
O(11)   .2685 .1264  .382      2.1
O(12)   .7450 .1303  .619      1.8
O(13)    .366     0  .274      3.0
O(14)   .6485     0  .733      1.4
O(15)   .0859 .1204  .668      1.4
O(16)   .9194 .1144  .335      2.5
Wat(2)   .015  .135  .002      7.3
Wat(3)   .103     0  .349      7.0
Wat(4)  .9077     0  .655  .9  4.3
Ba(4)   .9077     0  .655  .1  4.3
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Atencioite
 
Rastsvetaeva R K, Barinova A V, Chukanov N V, Pietraszko A
 
Doklady Chemistry 398 (2004) 191-195
Crystal structure of a magnesium-rich triclinic analogue of greifensteinite
Locality: Galileia, Minas Gerais, Brazil
_database_code_amcsd 0019973
6.668 9.879 9.883 73.53 85.60 86.93 P-1
atom        x     y     z occ Biso
Ca      .7457 .2605 .7382     1.18
Fe2+M1      0     0     0  .5 1.39
Mn2+M1      0     0     0  .2 1.39
AlM1        0     0     0  .1 1.39
MgM2       .5     0     0  .2  1.6
MgM3    .4925 .9934 .6636 .55 1.10
Fe3+M3  .4925 .9934 .6636 .25 1.10
Fe2+M3  .4925 .9934 .6636 .20 1.10
Fe2+M4 -.0021 .6674 .9904 .55 1.33
MgM4   -.0021 .6674 .9904 .45 1.33
P1      .2469 .2703 .7252      .91
P2      .4800 .6962 .9304      .88
P3     -.0245 .9322 .6973      .79
Be1      .698  .513  .153      1.4
Be2      .808 .8436  .494       .8
O1      .2012 .9602 .3264       .9
O2      .7000 .3267 .9591      1.1
O3      .4487 .6199 .8173      1.2
O4      .3259 .3657 .9937      1.2
O5      .6671 .5873 .2810      1.4
O6      .4214 .1622 .7539      1.2
O7      .0697 .2300 .8409      1.3
O8      .5059 .8541 .8596      1.0
O9      .1737 .0037 .6309      1.1
O10     .1573 .2814 .5848      1.3
O11     .9383 .8173 .6263      1.2
O12    -.0004 .1357 .1418      1.2
OH1     .5613 .8630 .5379       .9
OH2     .9349 .4636 .1370      1.2
Wat3    .7204 .0408 .9571      2.3
OW1     .2189 .4887 .3268      1.5
OW2      .274 .6714 .5153      2.1
H1      -.194  .573 -.415        3
H2      -.315  .546 -.276        3
H3       .799  .289  .454        3
H4       .767  .400  .510        3
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Schullerite
 
Rastsvetaeva R K, Aksenov S, Chukanov N
 
Doklady Chemistry 437 (2011) 90-94
Crystal structure of schullerite,
a new mineral of the heterophyllosilicate family
Locality: the Eifel volcanic area, Germany
_database_code_amcsd 0019755
5.4027 7.0656 10.2178 99.816 99.624 90.085 P1
atom       x     y     z occ Biso
BaA1   .9902 .5840 .6000  .6  .87
SrA1   .9902 .5840 .6000  .3  .87
KA1    .9902 .5840 .6000  .1  .87
BaA2   .5334 .1159 .7333     1.21
TiM1   .9445 .0496 .4575  .7  .88
NbM1   .9445 .0496 .4575  .2  .88
Fe3+M1 .9445 .0496 .4575  .1  .88
TiM2   .5776 .6496 .8758  .6  .56
AlM2   .5776 .6496 .8758  .2  .56
MgM2   .5776 .6496 .8758  .2  .56
NaM3   .5191 .9742 .1617      .97
MnM4   .0185 .7230 .1652  .5 1.15
CaM4   .0185 .7230 .1652  .4 1.15
NaM4   .0185 .7230 .1652  .1 1.15
Fe3+M5 .5400 .4658 .1622 .55 1.50
MgM5   .5400 .4658 .1622 .45 1.50
Fe2+M6 .0146 .2262 .1673  .6 1.12
MgM6   .0146 .2262 .1673 .25 1.12
Fe3+M6 .0146 .2262 .1673 .15 1.12
Si1    .4383 .3189 .4426      .74
Si2    .0840 .3777 .8935      .92
Si3    .0818 .9337 .8947      .80
Si4    .4427 .7687 .4402      .89
O1     .7101 .8723 .5103      .80
O2     .8171 .4513 .8228      .96
O3      .814  .826 .8238      1.7
O4      .708 .2511 .5098      1.4
O5     .3106 .8282 .8260      .78
O6      .216  .871 .5051      1.8
O7     .4587 .5568 .4916     1.14
O8      .065 .1422 .8359      1.6
O9     .3096 .4482 .8208     1.04
O10     .215 .2505 .5106     1.34
O11     .145  .438 .0522      1.8
O12     .632  .685 .0503      1.8
O13     .396  .727 .2796      2.2
O14     .132  .950 .0548      1.9
O15     .381  .273 .2792      2.3
O16     .885  .020 .2803      2.4
O17     .878  .480 .2805     2.02
F       .654  .212 .0558      2.8
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Gunterblassite
 
Rastvetaeva R K, Aksenov S M, Chukanov N V
 
Doklady Chemistry 442 (2012) 57-62
Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer
Locality: Rother Kopf mountain, Eifel volcanic field, Germany
Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported
_database_code_amcsd 0018694
6.538 6.975 37.26 90 90 90 Pnm2_1
atom    x    y      z occ Biso
K1   .072    0  .2279 .35  2.3
Ca1  .072    0  .2279 .25  2.3
K2   .101    0  .0469  .5  1.2
Ba2  .101    0  .0469  .3  1.2
K3   .229   .5  .4225 .35  3.2
Ca3  .229   .5  .4225 .25  3.2
Fe   .246   .5  .8685  .5  2.5
Ca   .246   .5  .8685  .2  2.5
Mg   .246   .5  .8685 .15  2.5
Na   .246   .5  .8685 .15  2.5
Si1  .384    0  .8211      1.6
Si2  .199 .218  .3163      1.7
Si3  .013    0  .7708      2.6
Si4  .429    0  .6388      1.1
Si5  .055    0  .6904      1.0
Si6  .207 .221  .1400      2.2
Si7  .028    0  .5774      1.2
Si8  .047    0  .4915      1.2
Si9  .210 .233  .9462      2.0
Si10 .437    0  .4463      1.2
O1   .453 .316   .142      1.7
O2   .240    0  .6060      5.4
O3   .090 .323  .1777      1.9
O4   .055    0  .7294      3.1
O5   .052 .310  .1050      2.2
O6   .225    0   .144      1.7
O7   .438 .311  .3228      2.7
O8   .260    0  .7830      1.6
O9   .128 .316  .9838      3.1
O10  .098 .289  .2823      1.3
O11  .071    0  .5337      3.8
O12  .263    0  .6696      4.2
O13  .255    0  .4762      1.7
O14  .181    0  .3231      3.0
O15  .073 .294 -.0904      4.3
O16  .450 .302 -.0593      1.7
O17  .245    0 -.0466      1.4
OH1  .251    0  .8570      2.0
OH2  .058 .258  .3550      3.4
OH3  .247    0  .4126      3.7
Wat1 .245   .5  .6207  .8  1.6
Wat2 .299   .5   .798  .8  1.7
Wat3  .21   .5   .495  .8  1.4
Wat4 .351   .5   .697  .6  4.2
Wat5 .448 .259  .0450  .8  2.1
Wat6 .446 .261  .2281  .6  2.8
Wat7 .443 .198  .3779  .6  5.7
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Almeidaite
 
Kastsvetaeva R K, Aksenov S M, Chukanov N V, Menezes L A D
 
Doklady Chemistry 455 (2014) 53-57
Crystal structure of almeidaite, a new mineral of the crichtonite group
Locality: Novo Horizonte, Bahia, Brazil
_database_code_amcsd 0020510
10.4359 10.4359 21.0471 90 90 120 R-3
atom      x      y     z   occ  Uiso
Pb1       0      0     0    .6 .0495
Sr1       0      0     0    .1 .0495
Mn1    -2/3   -1/3   1/6    .6 .0100
Y1     -2/3   -1/3   1/6    .4 .0100
Zn1       0      0 .3093   .75 .0098
Fe1  -.1457  .0379 .1655 .7333 .0106
Ti1  -.1457  .0379 .1655 .2333 .0106
Mn2  -.1457  .0379 .1655 .0333 .0106
Ti2  -.4229 -.0137 .0656       .0098
Ti3   .0882  .3379 .0589       .0109
Fe2       0      0 .3681   .25  .021
O1   -.3075 -.0755 .2264       .0078
O2   -.3000 -.0648 .0064       .0111
O3   -.2582  .1052 .1164       .0087
O4    .0459  .1735 .1098       .0088
O5   -.4785 -.2009 .1029       .0120
O6    .0517  .1974 .3361       .0098
O7        0      0 .2150   .59 .0091
OH7       0      0 .2150   .41 .0091
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Alloriite
 
Rastsvetaeva R K, Ivanova A G, Chukanov N V, Verin I A
 
Doklady Earth Sciences 415 (2007) 815-819
Crystal structure of alloriite
Locality: Sabatino volcanic complex, Latium, Italy
_database_code_amcsd 0012512
12.892 12.892 21.340 90 90 120 P31c
atom         x      y     z occ Biso
Si1      .2506 -.0002 .4950     1.69
Si2      .9198  .5832 .3693     1.62
Si3      .0026  .2539 .2461     1.75
Si4      .9200  .5835 .1222     1.63
Al1      .7451  .9998 .9951     1.76
Al2      .0832  .4067 .8693     1.78
Al3      .0038  .7464 .7461     1.61
Al4      .0832  .4067 .6222     1.83
O1       .6587  .0028 .1846      2.9
O2       .0012  .3295 .1858      3.2
O3       .9972  .6576 .3106      3.1
O4       .0012  .3266 .3091      3.4
O5       .2247  .1059 .2468      2.8
O6       .6690  .0162 .4313      3.3
O7       .3344  .0127 .4364      3.4
O8       .6673  .0178 .0571      2.9
O9       .3384  .0145 .0525      3.1
O10      .1147  .2354 .0076      3.8
O11      .1146  .2371 .4873      4.7
O12      .1227  .2482 .2476      4.0
O13      .5426  .4614 .1227      4.2
O14      .4593  .5422 .8717      3.7
O15      .4502  .2318 .1293      2.7
O16      .4470  .2310 .3652      3.4
Ca1a     .6667  .3334 .1400 .80 3.31
Ca1b     .6667  .3334 .1048 .20  2.2
Ca2a     .6667  .3334 .3581 .75 4.21
Ca2b     .6667  .3334 .3276 .25  4.0
Ca3          0      0 .2059 .23 4.69
K        .2174  .4341 .3732 .72 2.89
Na1      .2234  .4452 .3550 .28  1.0
Na2      .2190  .4376 .1246      2.5
Na3a     .4958  .5132 .2463 .81 2.21
Na3b      .478   .529 .2574 .19  2.8
Na4a    -.0008  .4966 .4962 .80 2.44
Na4b      .550   .487 -.008 .20  6.7
Na5          0      0 .2530 .77  4.7
Na6a         0      0 .4993 .75  4.4
Na6b         0      0  .443 .25  4.2
S1a      .3334  .6667 .4675 .80 3.80
S1b      .3334  .6667 .4847 .20  1.6
O1a.1     .214   .609 .4428 .68  3.7
O1b.1     .207   .603  .474 .32  3.7
O1.2     .6667  .3334  .046 .80  3.9
S2       .3334  .6667 .2473 .70 2.95
O2       .2132   .600 .2234 .70  3.5
S3a      .3334  .6667 .0207 .75 2.97
O3a.1    .2070  .6032 .0405     4.75
O3a.2    .6667  .3334 .4493 .61  5.1
S3b      .3334  .6667  .066 .25  2.5
O3b      .3334  .6667  .136 .25  4.2
C        .3334  .6667  .304 .31  3.9
Oc        .236   .616  .297 .30  5.3
Wat1a        0      0 .3610 .75  3.5
Wat1b        0      0  .401 .25  4.3
Wat2a        0      0 .1217 .78  4.6
Wat2b     .067   .046  .114 .22  3.6
Wat3      .611   .209  .240 .23  3.5
Cl       .6667  .3334  .240 .17 4.96
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Hydroxymanganopyrochlore
 
Chukanov N V, Blass G, Zubkova N V, Pekov I V, Pushcharovskii D Y, Prinz H
 
Doklady Earth Sciences 449 (2013) 342-345
Hydroxymanganopyrochlore: A new mineral from the Eifel volcanic region, Germany
Locality: Eifel volcanic region, Germany
_database_code_amcsd 0020052
10.2523 10.2523 10.2523 90 90 90 *Fd-3m
.125 .125 .125
atom     x    y     z  occ  Uiso
MnA      0    0     0 .255 .0193
ThA      0    0     0 .185 .0193
NaA      0    0     0 .175 .0193
CaA      0    0     0 .145 .0193
CeA      0    0     0  .09 .0193
LaA      0    0     0 .045 .0193
NdA      0    0     0  .01 .0193
UA       0    0     0  .02 .0193
NbB     .5   .5    .5 .485 .0090
TiB     .5   .5    .5 .425 .0090
Fe3+B   .5   .5    .5 .095 .0090
OX    .625 .625 .4258       .017
OHY   .125 .125  .125  .65  .028
OY    .125 .125  .125  .24  .028
FY    .125 .125  .125  .11  .028
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Fukalite dimorph
 
Rastsvetaeva R K, Bolotina N B, Zadov A E, Chukanov N V
 
Doklady Earth Sciences 405A (2005) 1347-1351
Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the
Gumeshevsk Deposit the Urals
Locality: Gumeshevsk Deposit the Urals
_database_code_amcsd 0012514
3.786 10.916 23.379 90 90 90 P2_12_12_1
atom     x     y     z occ Biso
Ca1  .2519 .3742 .4562      .55
Ca2  .2566 .0553 .6907      .74
Ca3  .2493 .3082 .1932      .79
Ca4  .2471 .1241 .9545      .58
Si1  .3275 .3734 .7216 .49  .51
Si2  .1787 .3782 .5875 .52  .12
Si3  .1533 .3756 .7137 .49  .54
Si4  .3384 .3712 .5839 .48  1.3
C     .281 .1231 .0813      .29
O1    .262 .2550 .5515       .6
O2    .252 .5084 .0462       .6
O3    .248 .2284 .0523       .8
O4    .235 .0242 .0506       .9
O5    .211 .1281 .1351       .8
O6    .188 .4993 .2427   1  1.5
O7    .237 .2461 .7413      3.2
O8    .359 .3768 .6483      1.1
O9    .238  .125 .2582 .53   .9
O10   .263  .123 .3980 .46   .9
Oh1   .259 .1256 .8565       .9
Oh2   .242 .3782 .3571   1   .8
Hl    .255  .058  .849      3.0
H2    .243  .314  .342      3.0
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Ferroindialite
 
Chukanov N V, Aksenov S M, Pekov I V, Ternes B, Schuller W, Belakovskiy D I,
Van K V, Blass G
 
Geology of Ore Deposits 56 (2014) 637-643
Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel
volcanic region, Germany
Locality: Caspar basalt quarry, Eifel volcanic district, Germany
_database_code_amcsd 0020462
9.8759 9.8759 9.3102 90 90 120 P6/mcc
atom      x     y     z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1        0     0    .5    .06  .023   .020   .020    .03   .010      0      0
Na1       0     0    .5    .03  .023   .020   .020    .03   .010      0      0
Fe2+1   2/3   1/3   .25   .575 .0084  .0088  .0088  .0077  .0044      0      0
Mg1     2/3   1/3   .25   .425 .0084  .0088  .0088  .0077  .0044      0      0
Al1      .5     0   1/3    .46 .0091  .0101  .0088  .0081  .0044      0      0
Fe3+1    .5     0   1/3    .04 .0091  .0101  .0088  .0081  .0044      0      0
Si1   .3703 .1040     0 .82333 .0097  .0149  .0094  .0070  .0078      0      0
Al2   .3703 .1040     0 .17667 .0097  .0149  .0094  .0070  .0078      0      0
O1    .3124 .2320     0        .0238   .029   .034  .0194   .024      0      0
O2    .4821 .1326 .1452        .0139  .0180  .0158  .0109  .0108 -.0063 -.0036
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Zvyaginite
 
Pekov I V, Lykova I S, Chukanov N V, Yapaskurt V O, Belakovskiy D I,
Zolotarev A A, Zubkova N V
 
Geology of Ore Deposits 56 (2014) 644-656
Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite
group from the Lovozero alkaline pluton, Kola Peninsula, Russia
Locality: Mt. Malyi Punkaruaiv, Lovozero alkaline complex, Kola Peninsula, Russia
_database_code_amcsd 0020443
8.975 8.979 12.135 74.328 80.651 73.959 P-1
atom       x     y      z  occ  Uiso
Nb1    .9576 .6613  .2409  .56 .0287
Ti1a   .9576 .6613  .2409  .44 .0287
Nb2   .45733 .1598 .24176      .0101
Zn1    .6200 .1195  .4999  .58 .0071
Zn2    .8635 .3626  .4991  .62 .0239
Ti1       .5    .5     .5  .91  .014
Ti2        0     0      0 1.01 .0161
Na1     .251  .250  .4961  .46  .023
Na2     .201  .909  .1999  .49  .026
Na3     .715  .438  .2092  .48  .027
Si1    .0586 .2566  .2654      .0151
Si2    .8491 .0468  .2650      .0149
Si3    .5577 .7579  .2642      .0143
Si4    .3486 .5489  .2645      .0162
O1     .2366 .2000  .2202       .019
O2      .737  .704   .217       .058
O3     .0344 .2044  .4055       .019
O4     .4899  .944  .2186       .024
O5     .8377  .007  .4052       .025
O6      .977  .645  .3972   .5  .084
OH6     .977  .645  .3972   .5  .084
O7     -.012  .440   .220       .054
O8      .459  .671  .2124       .033
O9      .664  .490  .5965       .028
O10     .923  .886   .224       .053
OH11   .1651 .8810  .4077       .021
OH12   .6606 .3749  .4103       .023
O13    .4657  .293  .5965       .035
O14     .179  .633  .2228       .042
O15    .4308  .389  .2159       .027
O16    .6805  .139  .2162       .026
O17     .963  .167  .2111       .035
O18    .4388 .1056  .4028   .5  .021
OH18   .4388 .1056  .4028   .5  .021
Wat19   .986  .728  .0430       .036
Wat20   .479  .221   .044       .101
Wat21   .248 1.000   .033       .073
Wat22   .738  .474  .0384       .083
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Hydroxylborite
 
Rudnev V V, Chukanov N V, Nechelyustov G N, Yamnova N A
 
Geology of Ore Deposits 49 (2007) 710-719
Hydroxylborite, Mg3(BO3)(OH)3, a new mineral species and
isomorphous series fluoborite-hydroxylborite series
Locality: the Titovsky deposit, Sakha-Yakutia Republic, Russia
_database_code_amcsd 0012664
8.924 8.924 3.116 90 90 120 P6_3/m
atom     x     y   z  Uiso
Mg   .3721 .3395 .25 .0100
B      1/3   2/3 .25  .013
O1   .7924 .7053 .25 .0117
O2   .4462 .6020 .25 .0105
H      .90   .81 .25   .05
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Chesnokovite
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Pekova I V, Chukanov N V, Zadov A E, Zubkova N V, Pushcharovsky D Yu
 
Geology of Ore Deposits 49 (2007) 727-738
Chesnokovite, Na2[SiO2(OH)2]*8H2O, the first natural sodium orthosilicate from
the Lovozero alkaline pluton, Kola Peninsula: Description and crystal structure
of a new mineral species
Locality: Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia
_database_code_amcsd 0012665
11.7119 19.973 11.5652 90 90 90 Ibca
atom     x     y     z Uiso
Na   .1244 .1817 .4143 .038
Si   .3770     0   .25 .028
O1   .2898 .0540 .1696 .039
O2   .4469 .0541 .3319 .030
O3    .119 .0379 .4339 .033
O4   .1122 .1649 .2061 .025
O5   .4140 .1755 .0536 .044
O6   .3215 .1905 .3848 .047
H1     .27  .016   .11   .1
H2     .09  .035   .49   .1
H3     .04  .013   .39   .1
H4     .05  .138  .209   .1
H5     .17  .134  .205   .1
H6     .37  .133  .093   .1
H7     .40  .167 -.027   .1
H8     .38  .159  .365   .1
H9     .35  .238  .339   .1
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Calcioolivine
 
Zadov A E, Gazeev V M, Pertsev N N, Gurbanov A G,
Gobechiya E R, Yamnova N A, Chukanov N V
 
Geology of Ore Deposits 51 (2009) 741-749
Calcioolivine, gamma-Ca2SiO4, an old and new mineral species
Locality: Mt. Lakargi, Upper Chegem Plateau, northern Caucasus,
Kabarda-Balkaria Republic, Russia
_database_code_amcsd 0018297
5.074 11.211 6.753 90 90 90 Pbnm
atom     x     y     z Biso
Ca1      0     0     0  3.9
Ca2  .9890 .2796   .25  3.8
Si   .4297 .0991   .25  3.4
O1    .741 .0902   .25  3.6
O2    .295 .9619   .25  1.7
O3    .300 .1604 .0596  2.6
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Bendadaite
 
Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V,
Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L,
Mockel S, Giester G, Pushcharovsky D Y
 
Mineralogical Magazine 74 (2010) 469-486
Bendadaite, a new iron arsenate mineral of the arthurite group
Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil
_database_code_amcsd 0015896
10.200 9.718 5.5432 90 94.05 90 P2_1/c
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Fe(1)      .0      .0     .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171
Fe(2)  .45715  .13679 .33999 .931 .00815 .01042 .00689 .00716  .00032 .00074  .00007
Al(2)  .45715  .13679 .33999 .040 .00815 .01042 .00689 .00716  .00032 .00074  .00007
As    .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738  .00010 .00130  .00012
P     .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738  .00010 .00130  .00012
O(1)   .39899  .48388 .11976       .0122  .0136  .0117  .0116  -.0013  .0025  -.0014
O(2)   .35684  .48686 .59650       .0137  .0166  .0126  .0117  -.0005 -.0010   .0010
O(3)   .15115  .48741  .2615       .0179  .0161  .0207  .0170   .0015  .0028   .0016
O(4)   .29959  .25662 .32143       .0140  .0160  .0125  .0136   .0026  .0007  -.0004
Oh     .54491  .23380 .08027       .0140  .0167  .0130  .0124   .0034  .0033   .0026
Ow(1)  .12925 -.09593  .2979       .0241  .0213  .0304  .0205  -.0039  .0002  -.0015
Ow(2)  .04589  .18779  .1498       .0298  .0248  .0224  .0420  -.0031  .0008  -.0145
H        .586    .176   .999        .039
H11      .208    .915   .262        .057
H12      .128    .941   .456        .056
H21      .118    .211   .226        .061
H22      .992    .247   .181        .057
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Pb2(AsO2OH)Cl2
 
Siidra O I, Chukanov N V, Pekov I V, Krivovichev S V, Magganas A,
Katerinopoulos A, Voudouris P
 
Mineralogical Magazine 76 (2012) 597-602
Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece:
occurrence and characterization
Locality: Lavrion, Greece
_database_code_amcsd 0019001
6.4235, 5.5399, 9.321 90 90.767 90 P2_1/m
atom      x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .28891   .25 .44158 .0132  .0076  .0123  .0198      0  .0011      0
Pb2  .53034   .25 .83922 .0163  .0154  .0180  .0158      0  .0033      0
As1   .7736   .25  .3127 .0103  .0057  .0109  .0144      0  .0013      0
O2    .5952 .0134  .3507  .015   .008   .009   .030   .000   .000  -.001
OH1    .742   .25   .118  .023   .016   .038   .016      0   .003      0
Cl1   .2399   .25  .0983 .0203   .012   .026   .022      0   .004      0
Cl2   .8871   .25  .6602 .0183   .014   .013   .026      0   .004      0
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Calciolangbeinite
 
Pekov I V, Zelenski M E, Zubkova N V, Yapaskurt V O, Chukanov N V,
Belakovskiy D I, Pushcharovsky D Y
 
Mineralogical Magazine 76 (2012) 673-682
Calciolangbeinite, K2Ca2(SO4)3, a new mineral from the Tolbachik volcano,
Kamchatka, Russia
Locality: Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0018991
10.19 10.19 10.19 90 90 90 P2_13
atom        x      y      z  occ  Uiso
K(1)   .06709 .06709 .06709      .0394
K(2)   .30130 .30130 .30130      .0426
CaM(1) .57913 .57913 .57913 .625 .0260
MgM(1) .57913 .57913 .57913 .370 .0260
CaM(2) .84035 .84035 .84035 .700 .0287
MgM(2) .84035 .84035 .84035 .300 .0287
S      .62413 .47372 .26097      .0282
O(1)    .6611  .5121  .3908      .0803
O(2)    .7383  .4833  .1768      .0856
O(3)    .5742  .3405  .2595      .0733
O(4)    .5276  .5632  .2048      .0813
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Metavivianite
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Chukanov N V, Scholz R, Aksenov S M, Rastsvetaeva R K, Pekov I V, Belakovskiy D I,
Krambrock K, Paniago R M, Righi A, Martins R F, Belotti F M, Bermanec V
 
Mineralogical Magazine 76 (2012) 725-741
Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision
Locality: Boa Vista pegmatite, near Galileia, Minas Gerais, Brazil
_database_code_amcsd 0018993
7.989 9.321 4.629 97.34 95.96 108.59 P-1
atom     x      y      z occ  Uiso
Fe1     .5     .5      0     .0112
Fe2  .1305 -.0845 -.5020     .0117
P    .1888  .1768  .0579     .0098
O1    .045   .219  -.129      .013
O2    .257   .064  -.129      .013
O3    .343   .324   .189      .015
O4    .105   .101   .312      .013
OH1   .351  -.080  -.678  .5  .024
Wat1  .351  -.080  -.678  .5  .024
Wat2  .259   .477   .697      .020
OH3   .137  -.275  -.310  .5  .028
Wat3  .137  -.275  -.310  .5  .028
Wat4  .560   .342   .696      .020
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Thaumasite
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Pekov I V, Chukanov N V, Britvin S N, Kabalov Y K, Gottlicher J, Yapaskurt V O,
Zadov A E, Krivovichev S V, Schuller W, Ternes B
 
Mineralogical Magazine 76 (2012) 1133-1152
The sulfite anion in ettringite-group minerals: a new mineral species
hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
solid-solution series
Note: sample Zb-01, single crystal
Locality: Zeilberg basalt quarry, Maroldsweisach, Franconia, Bavaria
_database_code_amcsd 0019543
11.070 11.070 10.4397 90 90 120 P6_3
atom        x      y     z occ Biso
Ca      .8054 .79393 .1340     1.78
Si          0      0 .3880     1.52
O1      .8688  .9949 .9883     1.98
O2      .0072  .8758 .2791     1.58
O3      .6644   .658 .9545     3.95
O4      .7705  .6085  .632     3.32
O5      .8582  .5967  .138     2.84
O6      .6722  .6529 .3148     2.13
S6+1      1/3    2/3 .3764 .85 2.45
OS1A      1/3    2/3 .2312     2.84
OS1B    .4259  .6199 .4216     2.13
C         1/3    2/3   .85  .5  1.6
S4+2      1/3    2/3  .911 .42  .32
O(C,S2)  .370  .8020 .8473     3.71
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Hielscherite
 
Pekov I V, Chukanov N V, Britvin S N, Kabalov Y K, Gottlicher J, Yapaskurt V O,
Zadov A E, Krivovichev S V, Schuller W, Ternes B
 
Mineralogical Magazine 76 (2012) 1133-1152
The sulfite anion in ettringite-group minerals: a new mineral species
hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
solid-solution series
Note: sample G-3231, single crystal
Locality: Graulay basalt quarry, Hillesheim,  Eifel Mountains, Germany
_database_code_amcsd 0019544
11.106 11.106 10.492 90 90 120 P6_3
atom        x      y     z occ Biso
Ca      .8058  .7950 .1378     2.07
Si          0      0 .3900      1.4
O1       .877   .998 .9943      2.0
O2      .0116  .8735 .2867      2.8
O3      .6710  .6638 .9581      2.8
O4      .7710  .6093  .640      4.0
O5      .8574  .5983 .1417      3.3
O6      .6695  .6497  .317      4.0
S6+1      1/3    2/3 .3742      2.3
OS1A      1/3    2/3  .237      4.0
OS1B    .4307  .6228  .421      4.5
S4+2      1/3    2/3 .8956      4.5
O(C,S2)  .372  .8042 .8503      3.9
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