American Mineralogist Crystal Structure Database

78 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
 
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
 
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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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
 
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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Isolueshite
Download hom/isolueshite.pdf
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
Download hom/isolueshite.pdf
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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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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Mountainite
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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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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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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
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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
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
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
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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
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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
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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
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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
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Beryl
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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
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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
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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
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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
_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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Nenadkevichite
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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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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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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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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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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
Download hom/chesnokovite.pdf
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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Natrite
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Zubkova N V, Pushcharovsky D Y, Ivaldi G, Ferraris G, Pekov I V, Chukanov N V
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 85-96
Crystal structure of natrite, gamma-Na2CO3
Locality: Mt Koashva, Khibiny alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0014917
8.905 5.237 6.045 90 101.32 90 C2/m
atom      x     y     z Biso
Na1       0     0     0 2.27
Na2       0     0    .5 2.46
Na3  .17047    .5 .7478 3.22
C     .1645    .5 .2497 1.85
O1    .1023 .2944 .2859 4.58
O2    .2894    .5 .1781 1.81
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Tsepinite-Ca
 
Pekov I V, Chukanov N V, Ferraris G, Gula A, Pushcharovsky D Y, Zadov A E
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 461-480
Tsepinite-Ca,(Ca,K,Na,[])2(Ti,Nb)2(Si4O12)(OH,O)2*4H2O, a new mineral
of the labuntsovite group from the Khibiny alkaline massif, Kola peninsula
- novel disordered sites in the vuoriyarvite-type structure
Locality: Lovchorrite mine, Hackman Valley, Yukspor Mountian, Khibiny massif,
Kola Peninsula, Russia
_database_code_amcsd 0014929
14.484 14.191 7.907 90 117.26 90 C2/m
atom       x     y     z   occ  Uiso
NaA    .4134 .7401 -.000  .175  .049
KA     .4134 .7401 -.000 .1388  .049
WatA   .4134 .7401 -.000 .0437  .049
BaA'      .5  .657     0 .0875   .23
WatA'     .5  .657     0 .9125   .23
CaB     .432     0  .700   .13   .15
SrB     .432     0  .700   .10   .15
WatB    .432     0  .700   .65   .15
BaB'1     .5  .829     0 .0158   .12
WatB'1    .5  .829     0 .3175   .12
BaB'2   .462  .907  .851 .0079   .02
WatB'2  .462  .907  .851 .1587   .02
BaB'3   .462  .849  .847 .0079   .10
WatB'3  .462  .849  .847 .1587   .10
SrC     .086     0  .330   .07   .10
WatC    .086     0  .330   .93   .10
CaC'    .251     0  .501   .21  .015
CaD        0     0    .5  .425  .024
MnD        0     0    .5  .025  .024
FeD        0     0    .5  .005  .024
ZnD        0     0    .5  .015  .024
TiM1       0 .7583    .5    .8  .027
NbM1       0 .7583    .5    .2  .027
TiM2    .750  .750    .5    .8  .033
NbM2    .750  .750    .5    .2  .033
Si1    .2004 .1114 .7911       .0174
Si2    .6887 .8894 .7648       .0171
O1     .9001 .7605  .602   .39  .023
OH1    .9001 .7605  .602   .61  .023
O2     .9194 .8626  .326        .040
O3     .2482 .8605  .342        .037
O4     .2694 .8334  .709        .037
O5     .4190 .8331  .308        .044
O6      .340     0  .254        .049
O7     .2418 .8689  .014        .037
O8      .215     0  .762        .045
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Potassicarfvedsonite
 
Pekov I V, Chukanov N V, Lebedeva Y S, Pushcharovsky D Y, Ferraris G, Gula A,
Zadov A E, Novakova  A A, Petersen O V
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2004 (2004) 555-574
Potassicarfvedsonite, KNa2Fe2+4Fe3+Si8O22(OH)2,a K-dominant amphibole of the
arfvedsonite series from agpaitic pegmatites - Mineral data, structure
refinement and disorder in the A site
Locality: Ilimaussaq, Greenland
_database_code_amcsd 0014932
10.002 18.054 5.319 90 103.90 90 C2/m
atom        x      y      z   Uiso  occ
KA'm     .013     .5   .039   .038 .342
NaA"m    .067     .5   .121   .021 .054
NaA2        0   .472      0   .034 .054
Fe2+M1      0 .09102     .5 .00873  .70
Fe3+M1      0 .09102     .5 .00873  .20
MnM1        0 .09102     .5 .00873  .10
Fe2+M2      0 .18388      0 .00721  .58
Fe3+M2      0 .18388      0 .00721  .39
Ti4+M2      0 .18388      0 .00721  .03
Fe2+M3      0      0      0 .00782  .63
LiM3        0      0      0 .00782  .28
Fe3+M3      0      0      0 .00782  .09
NaM4        0 .27795     .5  .0165
Si1    .27470 .08610 .29088 .00669
Si2    .28655 .17085 .79998 .00683
O1     .10992 .09152  .2078  .0096
O2     .12016 .17285  .7336  .0102
O3      .1084      0  .7081  .0124   .8
F3      .1084      0  .7081  .0124   .2
O4      .3643 .24753  .7991  .0130
O5     .34497 .12684  .0802  .0107
O6      .3374 .11819  .5814  .0115
O7      .3271      0  .2968  .0131
H        .223      0   .771    .07   .8
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Megacyclite
Download hom/megacyclite.pdf
Zubkova N V, Pekov I V, Chukanov N V, Listsin D V, Rabadanov M K, Pushcharovsky D Y
 
New Data on Minerals. Moscow 42 (2007) 81-92
New data on megacyclite
_database_code_amcsd 0014933
24.8219 11.9236 14.8765 90 94.486 90 P2_1/c
atom       x      y      z   Uiso
K     .91382 .14525 .72291 .03881
Na1   .34232 .12237 .34597 .02689
Na2   .44824 .13180 .82325  .0289
Na3   .55939 .12869 .28837  .0324
Na4   .22742 .13972 .86258 .02652
Na5   .78914 .12064 .25418 .02935
Na6   .67336 .13710 .76626  .0324
Na7   .11812 .11694 .40322  .0354
Na8   .01282 .05626 .11570  .0446
Sil  .297439 .17493 .54092 .01369
Si2   .71951 .17838 .44664 .01423
Si3  .400360 .17567 .01732 .01369
Si4   .61727 .18088 .97530 .01496
Si5   .50792 .18194 .49761 .01547
Si6   .19635 .18284 .06553 .01437
Si7   .81558 .17287 .92411 .01483
Si8   .14334 .11673 .64686 .01471
Si9   .88173 .11110 .46350 .01564
O14   .74530 .11403 .53314  .0216
O15   .83506 .10594 .01271  .0222
O16   .84737 .20972 .40773  .0205
O17   .65669 .21333 .45761  .0246
O18   .25601 .21879 .03407  .0210
O19   .16028 .20192 .56640  .0188
O1    .71992 .10119 .35537  .0191
Hl     .7150  .0333  .3548   .028
O2    .27993 .09279 .45507  .0200
H2     .2728   .026  .4583   .066
O3    .16938 .10964 .98044  .0192
H3     .1672   .039  .9860   .059
O4    .29887 .11160 .63522  .0203
O5    .61265 .10717 .88171  .0217
H5     .6071   .043  .8851   .060
O6    .38321 .09797 .92889  .0215
H6     .3776   .031  .9326   .061
O7    .75123 .20640 .92225  .0205
O8    .51367 .10963 .58735  .0275
O9    .19976 .11501 .15772  .0194
O10   .40724 .10633 .10854  .0233
O11   .82367 .09931 .83298  .0198
Hl1    .8171  .0367  .8338   .032
O12   .35638 .22273 .51836  .0235
O13   .50322 .10376 .40678  .0278
H13    .4965   .041  .4101   .061
O20   .41959 .18052 .28331  .0273
H20a   .4443   .145  .3088   .039
H20b   .4181   .163  .2375   .050
O21   .19890 .09026 .71178  .0231
H21    .2250  .0995  .6896   .030
O22   .63775 .10804 .06030  .0288
O23   .09260 .09683 .21876  .0309
H23a   .1210   .094  .1956   .058
H23b   .0898   .176   .215   .089
O24   .85386 .08407 .55810  .0253
H24    .8199  .0927  .5588   .032
O25   .09694 .16394 .70337  .0215
O26   .52769 .18390 .76158  .0272
H26a   .5282   .164  .7162   .054
H26b   .5536  .1526  .7832   .033
O27   .63890 .18017 .23162  .0264
H27a   .6627  .1479  .2508   .027
H27b   .6405   .166  .1835   .036
O28   .19670 .16976 .33956  .0266
H28a   .2213  .1435  .3683   .028
H28b   .2008   .157  .2943   .052
O29   .30838 .19508 .80967  .0255
H29a   .3297  .1563  .8418   .034
H29b   .3114   .181  .7653   .063
O30   .94346 .14092 .48509  .0243
O31   .45601 .23503 .99030  .0271
O32   .12566 .00013 .59820  .0285
O33   .41257 .06048 .68015  .0318
H33a   .4321   .085  .6483   .055
H33b   .3768   .077  .6651   .067
O34   .75341 .19701 .70393  .0290
H34a   .7550   .182  .6552   .043
H34b   .7731  .1575  .7254   .021
O35   .62623 .06541 .62515  .0348
H35a   .5896   .082  .6129   .052
H35b   .6392   .093   .590   .077
O36   .55876 .23442 .98791  .0351
O37   .74524 .05079 .11455  .0286
H37a   .7666   .075  .0840   .053
H37b   .7074   .074  .0944   .060
O38   .30555 .05356 .20507  .0300
H38a   .3247   .078  .1746   .051
H38b   .2697   .075  .1889   .066
O39  -.00211 .24854 .62662  .0426
H39a   .9833   .215   .581   .104
H39b   .0262   .215   .639   .108
O40   .08499 .20186 .87558  .0295
H40a   .0913   .185  .8190   .060
H40b   .1067   .172  .9051   .059
O41   .03014 .04650 .41017  .0303
H41a   .0334 -.0070  .4371   .029
H41b   .0046   .082  .4368   .051
O42   .87103 .14303 .18903  .0352
H42a   .8969   .113  .1981   .050
H42b   .8651   .134  .1413   .035
O43   .96867 .00773 .24304  .0379
H43a   .9485  -.041  .2583   .038
H43b   .9844   .021  .2860   .051
O44   .51857 .05720 .14594  .0343
H44a   .5338   .083   .111   .083
H44b   .4816   .073  .1367   .056
O45   .97420 .18565 .87773  .0448
H45a   .9658   .235   .912   .093
H45b   .0075   .192  .8738   .059
O46   .94217 .02574 .00379  .0680
H46a   .9136  .0501  .0070   .043
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Manganoeudialyte
 
Nomura S F, Atencio D, Chukanov N V, Rastsvetaeva R K, Coutinho J M V, Karipidis T K
 
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 139 (2010) 35-47
Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil
Locality: Pocos de Caldas massif, Minas Gerais, Brazil
_database_code_amcsd 0017801
14.2418 14.2418 30.1143 90 90 120 R3m
atom         x     y      z occ Biso
Zr       .3325 .1663  .1668     1.05
CaM1    -.0001 .2601      0      .65
Si1      .5260 .2630  .2514      .47
Si2     -.0056 .6036  .0976      .59
Si3      .2081 .4162  .0770      .83
Si4      .0827 .5413  .2585     1.07
Si5      .0570 .3267  .2369      .78
Si6      .1404 .0702  .0826      .77
O1       .4790 .2395  .2006      1.4
O2       .2600 .0334  .2085      1.3
O3       .4061 .3047  .1275      2.2
O4       .6052 .3948  .2562      1.3
O5       .4352 .2171  .2884       .8
O6       .4114 .0338  .0453      1.5
O7       .1011 .3795  .1076      1.4
O8       .0207 .5103  .1150      1.0
O9       .2740 .5480  .0685      4.5
O10      .1809 .3619  .0287       .8
O11      .0282 .5141  .3052      1.5
O12      .1765 .3539  .2184      1.7
O13      .0443 .3001  .2885       .7
O14      .3871 .4321  .2271      2.2
O15      .3952 .6048  .2526      2.2
O16      .0618 .1237  .0782      1.2
O17      .1891 .0946  .1312      1.6
O18      .2260 .1130  .0433      1.4
MnM2a    .4928 .5070  .0017 .52 1.00
FeM2b    .5200 .4800 -.0023 .40  .67
NaM2c     .134  .268  .3340 .08   .7
SiM3a      1/3   2/3  .2454 .38  1.1
AlM3b      1/3   2/3  .2839 .25  3.4
NbM3c      1/3   2/3  .2966 .29  .94
ZrM3c      1/3   2/3  .2966 .08  .94
TiM4a      1/3   2/3  .0429 .19  1.5
SiM4b      1/3   2/3  .0518 .37  2.7
SiM4c      1/3   2/3  .0900 .44   .4
NaN1a    .1128 .2256  .1523 .79  2.3
NaN1b    .0925  .185  .1620 .21  2.4
NaN2a    .5839 .4163  .1638 .40  3.5
NaN2b    .5585 .4415  .1785 .60  1.9
NaN3a    .2358 .4716 -.0443 .23  1.0
KN3a     .2358 .4716 -.0443 .13  1.0
NaN3b    .2220 .1106  .2837 .64  1.9
NaN4a    .4292 .2150  .0569 .36  1.2
SrN4b    .4653 .2327  .0494 .27  .95
CeN4b    .4653 .2327  .0494 .02  .95
NaN4c     .485 .2426  .0450 .35  2.0
H3O+N5a  .2512  .502  .1733 .23  4.7
NaN5b    .1897 .5949  .1460 .40  2.8
C11        2/3   1/3  .1008 .48  2.1
C12          0     0  .2401 .40  4.7
F          2/3   1/3   .036 .13 1.82
OH1        1/3   2/3  .1426 .44  1.1
OH2        1/3   2/3   .196 .38  3.6
OH3        1/3   2/3 -.0045 .37  9.0
OH4        1/3   2/3   .341 .25  3.6
Wat1      .240  .620  .0009 .40  6.9
Wat1      .240  .620  .0009 .20  6.9
Wat2     .6020 .2040 -.0039 .52 2.20
Wat2     .6020 .2040 -.0039 .40 2.20
Wat3       2/3   1/3   .123 .36  8.5
Wat4         0     0   .252 .43  2.6
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Depmeierite
 
Pekov I V, Olysych L V, Chukanov N V, Van K V, Pushcharovsky D Y
 
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 139 (2010) 63-74
Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x·3H2O (x<0.5) - a new cancrinite
group mineral from the Lovozero alkaline massif (Kola Peninsula, Russia)
Locality: Lovozero alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0017798
12.7345 12.7345 5.1798 90 90 120 P6_3
atom      x      y      z  occ   Uiso
Na1     2/3    1/3  .1212 .982  .0311
Na2  .13776 .27865 .28006 .980  .0393
Al   .07608 .41475 .75026      .01020
Si   .32996 .41374    .75      .00982
P1        0      0  .5348  .23  .0480
P2        0      0  .2295  .07   .049
O1   .20282 .40392  .6707       .0173
O2   .12146 .56699  .7284       .0250
O3   .02621 .35498 .05607       .0189
O4   .32260 .36329 .03864       .0191
Wat1  .6921  .3812  .6860  .33  .0559
Wat2 -.0006  .1035  .5322  .20   .061
O5    .0513  .1215  .8854  .20   .077
O6        0      0  .3714  .20   .058
O7    .0930  .1065  .5653  .10   .071
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Bario-olgite
 
Pekov I V, Chukanov N V, Kulikova I M, Zubkova N V, Krotova O D, Sorokina N I, Pushcharovsky D Y
 
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 41-49
New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure
_database_code_amcsd 0015713
5.541 5.541 7.020 90 90 120 P3
atom    x    y     z occ  Uiso
BaM1    0    0     0 .94 .0439
KM1     0    0     0 .06 .0439
NaM2  2/3  1/3  .335  .5 .0348
CeM2  2/3  1/3  .335 .18 .0348
SrM2  2/3  1/3  .335 .28 .0348
CaM2  2/3  1/3  .335 .04 .0348
NaM3  1/3  2/3  .664 .62 .0067
SrM3  1/3  2/3  .664 .38 .0067
NaM4    0    0  .505     .0142
P1    1/3  2/3  .225     .0105
P2    2/3  1/3  .792      .026
O1   .795 .182  .702      .046
O2   .170 .821  .294      .051
O3    1/3  2/3 -.000      .035
O4    2/3  1/3 -.008      .039
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Lepkhenelmite-Zn
 
Pekov I V, Chukanov N V, Shilov G V, Kononkova N N, Zadov A E
 
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 49-59
Lepkhenelmite-Zn, Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4*7(H2O) - a new mineral of the
labuntsovite group and its crystal structure
Locality: Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia
Note: y(M1) corrected
_database_code_amcsd 0015714
14.381 13.889 7.793 90 117.52 90 Cm
atom      x     y     z   occ Uiso
BaA1   .751     0  .504 .0362 .013
KA1    .751     0  .504 .0212 .013
CaA1   .751     0  .504 .0102 .013
NaA1   .751     0  .504 .0094 .013
SrA1   .751     0  .504 .0086 .013
BaA2  -.001  .312  .005 .0904 .058
KA2   -.001  .312  .005 .0531 .058
CaA2  -.001  .312  .005 .0256 .058
NaA2  -.001  .312  .005 .0236 .058
SrA2  -.001  .312  .005 .0216 .058
BaA3   .931    .5  .697 .1876 .132
KA3    .931    .5  .697 .1101 .132
CaA3   .931    .5  .697 .0530 .132
NaA3   .931    .5  .697 .0489 .132
SrA3   .931    .5  .697 .0449 .132
BaA4   .907     0  .662 .1153  .10
KA4    .907     0  .662 .0677  .10
CaA4   .907     0  .662 .0326  .10
NaA4   .907     0  .662 .0301  .10
SrA4   .907     0  .662 .0276  .10
BaA5   .898     0   .99 .0316  .12
KA5    .898     0   .99 .0186  .12
CaA5   .898     0   .99 .0089  .12
NaA5   .898     0   .99 .0083  .12
SrA5   .898     0   .99 .0076  .12
BaA6   .760    .5  .530 .0316 .043
KA6    .760    .5  .530 .0186 .043
CaA6   .760    .5  .530 .0089 .043
NaA6   .760    .5  .530 .0083 .043
SrA6   .760    .5  .530 .0076 .043
BaA7   .086  .243  .989 .0565  .09
KA7    .086  .243  .989 .0332  .09
CaA7   .086  .243  .989 .0160  .09
NaA7   .086  .243  .989 .0147  .09
SrA7   .086  .243  .989 .0135  .09
BaA8   .058  .351  .222 .0452 .049
KA8    .058  .351  .222 .0265 .049
CaA8   .058  .351  .222 .0128 .049
NaA8   .058  .351  .222 .0118 .049
SrA8   .058  .351  .222 .0108 .049
BaA9   .930  .769  .012 .0576  .09
KA9    .930  .769  .012 .0339  .09
CaA9   .930  .769  .012 .0163  .09
NaA9   .930  .769  .012 .0150  .09
SrA9   .930  .769  .012 .0138  .09
BaA10  .048  .148  .219 .0090 .005
KA10   .048  .148  .219 .0053 .005
CaA10  .048  .148  .219 .0026 .005
NaA10  .048  .148  .219 .0023 .005
SrA10  .048  .148  .219 .0022 .005
ZnD   .0074     0  .494   .58 .032
MgD   .0074     0  .494   .01 .032
FeD   .0074     0  .494   .04 .032
MnD   .0074     0  .494   .15 .032
TiM1  .0032 .2339 .4907  .742 .034
NbM1  .0032 .2339 .4907  .256 .034
TiM2  .2525 .2491 .5025  .742 .044
NbM2  .2525 .2491 .5025  .256 .044
Al1   .1864 .3867  .762  .014 .047
Si1   .1864 .3867  .762  .986 .047
Al2   .8150 .6072 .2437  .014 .029
Si2   .8150 .6072 .2437  .986 .029
Al3   .2980 .3919 .2082  .014 .025
Si3   .2980 .3919 .2082  .986 .025
Al4   .7055 .6100  .802  .014 .057
Si4   .7055 .6100  .802  .986 .057
O1     .239  .378  .618       .045
O2     .087  .320  .706       .052
O3     .272  .374 -.021       .039
O4     .141    .5  .741        .09
O5     .745  .624  .016        .10
O6     .751  .645  .357        .10
O7     .859    .5  .268        .08
O8     .921  .671  .309        .11
O9     .426  .385  .332       .040
O10    .233  .317  .281       .077
O11    .255    .5  .203       .075
O12    .587  .630  .662       .075
O13    .774  .682  .735       .051
O14    .739    .5  .762       .057
O15    .898  .234  .593       .048
O16    .098  .231  .380       .057
Wat1  -.003  .126  .982        .19
Wat2   .000  .382 -.019  .056  .17
Wat3  -.022  .367  .900  .089  .11
Wat4  -.069     0  .658  .488 .023
Wat5  -.096     0  .353  .444 .013
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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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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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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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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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Fluorbritholite-(Y)
 
Pekov I V, Zubkova N V, Chukanov N V, Husdal T A, Zadov A E, Pushcharovsky D Y
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 188 (2011) 191-197
Fluorbritholite-(Y), (Y,Ca,Ln)5[(Si,P)O4]3F, a new mineral of the britholite group
Locality: Lagmannsvik, Hamaroy, Nordland, Norway
_database_code_amcsd 0018905
9.4437 9.4437 6.8169 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)
YMl     1/3    2/3 -.00130 .68 .0173  .0207  .0207  .0105  .0104      0      0
CaMl    1/3    2/3 -.00130 .22 .0173  .0207  .0207  .0105  .0104      0      0
CeMl    1/3    2/3 -.00130 .07 .0173  .0207  .0207  .0105  .0104      0      0
LaMl    1/3    2/3 -.00130 .03 .0173  .0207  .0207  .0105  .0104      0      0
YM2  .24761 .00642     .25 .20 .0167  .0182  .0155  .0125  .0054      0      0
NdM2 .24761 .00642     .25 .11 .0167  .0182  .0155  .0125  .0054      0      0
CeM2 .24761 .00642     .25 .07 .0167  .0182  .0155  .0125  .0054      0      0
YbM2 .24761 .00642     .25 .06 .0167  .0182  .0155  .0125  .0054      0      0
DyM2 .24761 .00642     .25 .05 .0167  .0182  .0155  .0125  .0054      0      0
ErM2 .24761 .00642     .25 .05 .0167  .0182  .0155  .0125  .0054      0      0
GdM2 .24761 .00642     .25 .04 .0167  .0182  .0155  .0125  .0054      0      0
SmM2 .24761 .00642     .25 .04 .0167  .0182  .0155  .0125  .0054      0      0
PrM2 .24761 .00642     .25 .02 .0167  .0182  .0155  .0125  .0054      0      0
CaM2 .24761 .00642     .25 .36 .0167  .0182  .0155  .0125  .0054      0      0
MnM2 .24761 .00642     .25 .01 .0167  .0182  .0155  .0125  .0054      0      0
Si    .3720  .4005     .25     .0111  .0111  .0140  .0100  .0076      0      0
O1    .4700  .5975     .25     .0285   .015   .015   .050   .003      0      0
O2    .4924  .3250     .25     .0253   .024   .044   .020   .027      0      0
O3    .2530  .3418   .4365     .0438   .035   .091   .023   .044   .016   .030
F         0      0     .25      .114   .047   .047    .25   .024      0      0
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Total number of retrieved datasets: 78
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