American Mineralogist Crystal Structure Database

54 matching records for this search.

Tumchaite
 
Subbotin V V, Merlino S, Pushcharovsky D Y, Pakhomovsky Y A, Ferro O,
Bogdanova A N, Voloshin A V, Sorokhtina N V, Zubkova N V
Download am/vol85/AM85_1516.pdf
American Mineralogist 85 (2000) 1516-1520
Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the
Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia
_database_code_amcsd 0002590
9.144 8.818 7.537 90 113.22 90 P2_1/c
atom     x     y     z occ  Uiso
Zr       0    .5     0  .8 .0076
Sn       0    .5     0  .2 .0076
Si1  .1669 .1582 .1993     .0093
Si2  .3176 .4421 .4124     .0093
Na   .2051 .6884 .7109     .0243
O1   .3148 .2659 .3454     .0129
O2   .1164 .0346 .3187     .0126
O3   .0260 .2676 .0660     .0131
O4   .2471 .0543 .0791     .0131
O5   .2145 .5425 .2299     .0120
O6      .5     0     0     .0157
OW   .3709 .6921 .0371     .0317
H1    .498  .684  .075       .05
H2    .352  .602  .090       .05
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View JMOL 3-D Structure
 
Delindeite
Download hom/delindeite.pdf
Ferraris G, Ivaldi G, Pushcharovsky D Y, Zubkova N V, Pekov I V
Download cm/vol39/CM39_1307.pdf
The Canadian Mineralogist 39 (2001) 1307-1316
The crystal structure of delindeite, Ba2{(Na,K,_)3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2},
a member of the mero-plesiotype bafertisite series
_database_code_amcsd 0005741
5.327 6.856 21.51 90 93.80 90 A2/m
atom        x      y      z occ Uiso
Ba      .2539      0 .27141 .96 .017
Ba'      .254      0   .221 .02 .015
Ba"      .261      0   .320 .02 .015
Ti(1)       0      0      0     .015
Ti(2)   .2731    1/2  .3453     .057
Si      .7891 -.2298  .3788     .020
Na(1)   -.055      0   .503 .24 .029
Na(2)     1/2  -.246    1/2 .56 .030
O(1)     .827  -.299  .4510     .029
O(2)     .097      0  .6252 .54 .022
O(2')    .326      0   .616 .46 .032
O(3)     .527  -.297  .3461     .061
O(4)     .012  -.302  .3399     .072
O(5)    -.272      0  .0596     .028
O(6)     .260   .059  .7577 .50 .022
Wat(7)   .287      0   .440 .58 .048
Wat(7')  .252      0   .476 .38 .032
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View JMOL 3-D Structure
 
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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Ilimaussite-(Ce)
Download hom/ilimaussitece.pdf
Ferraris G, Gula A, Zubkova N V, Pushcharovsky D Y,
Gobetchiya E R, Pekov I V, Eldjarn K
Download cm/vol42/CM42_787.pdf
The Canadian Mineralogist 42 (2004) 787-795
The crystal structure of ilimaussite-(Ce),
(Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6,
and the "ilimaussite" problem
_database_code_amcsd 0005939
10.770 10.770 61.05 90 90 120 R32
atom     x     y       z occ Uiso
Ce1    2/3   1/3 -.00005 .85 .027
Fe1    2/3   1/3 -.00005 .15 .027
Ce2    1/3 .0005     1/6 2/3 .048
Fe2    1/3 .0005     1/6 1/3 .048
Ba1  .0005 .3263   .1001 2/3 .044
Na1  .0005 .3263   .1001 .22 .044
K1   .0005 .3263   .1001 .12 .044
Ba2    1/3   2/3   .0657 .85 .043
Th2    1/3   2/3   .0657 .15 .043
Ba3    2/3   1/3  .06561 .95 .037
K3     2/3   1/3  .06561 .05 .037
Nb   .3439 .3427   .0844 .62 .038
Ti   .3439 .3427   .0844 .33 .038
Fe   .3439 .3427   .0844 .05 .038
Na1   .489  .485   .0277  .5 .015
Na2   .505  .505       0  .5  .05
K1       0     0   .0728  .9 .029
Ba1      0     0   .0728  .1 .029
K2       0     0       0  .8 .042
Sr2      0     0       0  .1 .042
Ba2      0     0       0  .1 .042
Si1  .3254  .168   .0386     .026
Si2  .1562 .8297   .0387     .021
Si3   .168  .167   .1302  .5 .016
Si4   .333  .502   .1292  .5 .017
Si5   .505  .331   .1292  .5 .018
O1    .332  .175   .0670     .030
O2    .486  .489   .0678     .041
O3    .157  .822   .0673     .033
O4    .175  .183   .1032     .037
O5    .328  .473   .1022     .045
O6    .486  .333   .1023     .040
O7    .216 -.000   .0300     .039
O8    .478  .220   .0267     .034
O9    .264  .783   .0270      .03
O10   .270  .273   .0281     .029
OH11   2/3   1/3   .1290      .10
OH12 .3439 .1962   .1390      .10
OH13 .4768 .4690   .1360      .10
OH14 .2077 .3422   .1380      .10
OH15     0     0   .1290      .15
OH16   1/6   1/3   .1290      .15
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Calcium catapleiite
Download hom/calciumcatapleiite.pdf
Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R,
Zubkova N V, Pekov I V
Download cm/vol42/CM42_1037.pdf
The Canadian Mineralogist 42 (2004) 1037-1045
The crystal structure of calcium catapleiite
_database_code_amcsd 0005960
7.378 12.779 10.096 90 90 90 Pbnn
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     .5    .5     0 .776 .0157  .0188  .0134  .0147  .0043 -.0046 -.0025
Ca2  .7485   .75     0 .224 .0145  .0106  .0213  .0116      0      0  .0044
Zr   .7442   .25     0      .0092  .0098  .0113  .0066      0      0  .0001
Si1  .4545 .3467 .7488      .0119  .0119  .0154  .0087  .0024  .0002 -.0007
Si2    .25 .5528   .75      .0115  .0150  .0108  .0086      0 -.0018      0
O1   .4285 .4746 .7374      .0179  .0160  .0147  .0229  .0010  .0021  .0036
O2     .25 .2949   .75      .0219  .0121  .0181  .0354      0 -.0017      0
O3   .2803 .6148 .8839      .0228  .0259  .0266  .0159 -.0016  .0039 -.0106
O4   .5602 .3030 .6250      .0292  .0393  .0317  .0165 -.0107 -.0098 -.0035
O5   .5434 .3293 .8904      .0234  .0290  .0297  .0115  .0148  .0066 -.0039
O6   .7630 .5827 .9143      .0382  .0300  .0390  .0455  .0069 -.0090 -.0024
H1    .885  .555  .892        .09
H2    .768  .581  .013        .04
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Calciocatapleiite
Download hom/calciocatapleiite.pdf
Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R,
Zubkova N V, Pekov I V
Download cm/vol42/CM42_1037.pdf
The Canadian Mineralogist 42 (2004) 1037-1045
The crystal structure of calcium catapleiite
_database_code_amcsd 0005961
7.378 12.779 10.096 90 90 90 Pbnn
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     .5    .5     0 .776 .0157  .0188  .0134  .0147  .0043 -.0046 -.0025
Ca2  .7485   .75     0 .224 .0145  .0106  .0213  .0116      0      0  .0044
Zr   .7442   .25     0      .0092  .0098  .0113  .0066      0      0  .0001
Si1  .4545 .3467 .7488      .0119  .0119  .0154  .0087  .0024  .0002 -.0007
Si2    .25 .5528   .75      .0115  .0150  .0108  .0086      0 -.0018      0
O1   .4285 .4746 .7374      .0179  .0160  .0147  .0229  .0010  .0021  .0036
O2     .25 .2949   .75      .0219  .0121  .0181  .0354      0 -.0017      0
O3   .2803 .6148 .8839      .0228  .0259  .0266  .0159 -.0016  .0039 -.0106
O4   .5602 .3030 .6250      .0292  .0393  .0317  .0165 -.0107 -.0098 -.0035
O5   .5434 .3293 .8904      .0234  .0290  .0297  .0115  .0148  .0066 -.0039
O6   .7630 .5827 .9143      .0382  .0300  .0390  .0455  .0069 -.0090 -.0024
H1    .885  .555  .892        .09
H2    .768  .581  .013        .04
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View JMOL 3-D Structure
 
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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View JMOL 3-D Structure
 
Pushcharovskite
Download hom/pushcharovskite.pdf
Pushcharovsky D Y, Teat S J, Zaitsev V N, Zubkova N V, Sarp H
 
European Journal of Mineralogy 12 (2000) 95-104
Crystal structure of pushcharovskite
_database_code_amcsd 0006814
13.6164 15.6672 19.1869 106.933 91.531 98.401 P-1
atom        x      y       z   occ  Uiso
K       .4604  .9897   .2191  .632  .062
As1    .35281 .61360  .26541       .0106
As2    .02666 .28725  .28335       .0104
As3    .68657 .95086  .27406       .0091
As4    .46902 .40761  .33783       .0097
As5    .26582 .21807  .17418       .0088
As6    .11600 .07023  .31652       .0091
As7    .58948 .55925  .17159       .0094
As8    .79201 .74394  .33199       .0080
As9    .92059 .88549  .15530       .0103
As10   .60967 .78440  .50751       .0094
As11   .28620 .43840  .50362       .0096
As12   .79491 .65131 -.00110       .0101
As13   .03372 .88484  .47447       .0093
As14   .86994 .03876  .02621       .0114
As15   .52618 .68949 -.00217       .0103
Cu1    .48182 .58697  .48636       .0102
Cu2    .59685 .60824  .34977       .0100
Cu3    .55730 .75219  .26701       .0109
Cu4    .71867 .75171  .15919       .0113
Cu5    .72319 .84699  .03297       .0116
Cu6    .91879 .83116 -.03443       .0124
Cu7    .05619 .07214  .15703       .0109
Cu8    .89223 .09059  .27450       .0114
Cu9    .91531 .94058  .34397       .0114
Cu10   .80920 .92628  .48658       .0113
Cu11   .84161 .75517  .51584       .0115
Cu12   .27063 .26644  .34663       .0113
Cu13   .23202 .41499  .26714       .0107
Cu14   .38555 .41158  .15518       .0102
Cu15   .40035 .50542  .02899       .0107
Cu16   .94166 .71585  .20054       .0117
Cu17   .45488 .76509  .62219       .0103
Cu18   .86497 .57518  .37727       .0132
O1      .4742  .6488   .2828        .014
OH2     .3040  .6524   .2021        .022
OH3     .2972  .6461   .3431        .016
O4      .3278  .4975   .2361        .015
OH5     .9791  .3284   .3631        .019
O6      .1502  .3150   .2862        .016
O7      .9953  .1755   .2511        .013
OH8     .9800  .3341   .2225        .023
OH9     .6415  .9960   .2152        .017
OH10    .6280  .9824   .3513        .016
O11     .8106  .9860   .2919        .012
O12     .6602  .8361   .2410        .014
O13     .3468  .3771   .3350        .011
O14     .4958  .5198   .3671        .015
O15     .5336  .3592   .3862        .018
OH16    .5064  .3770   .2489        .019
O17     .1532  .1677   .1416        .011
O18     .3068  .1974   .2500        .013
O19     .2769  .3283   .1801        .011
OH20    .3462  .1765   .1082        .014
O21     .1644  .1756   .3619        .015
O22     .1381  .0391   .2283        .013
O23     .9929  .0506   .3317        .012
OH24    .1713  .0016   .3563        .015
O25     .4744  .5120   .1391        .012
O26     .6049  .6691   .1800        .010
O27     .6217  .5305   .2458        .012
OH28    .6693  .5171   .1060        .016
O29     .8143  .8570   .3666        .010
O30     .8591  .6996   .3820        .016
O31     .8164  .7097   .2436        .016
O32     .6699  .7152   .3380        .011
O33     .7983  .8519   .1379        .011
O34     .9560  .8506   .2252        .016
O35     .9384  .9969   .1711        .013
OH36    .9843  .8392   .0826        .016
OH37    .5443  .8553   .4832        .014
O38     .5702  .6776   .4548        .013
O39     .5918  .7897   .5949        .013
O40     .7313  .8172   .4997        .010
OH41    .2213  .5109   .4809        .016
O42     .2698  .4375   .5903        .015
O43     .4066  .4689   .4914        .010
O44     .2462  .3307   .4492        .012
OH45    .8982  .6115  -.0272        .018
O46     .6972  .5820  -.0522        .014
O47     .7817  .6599   .0888        .014
O48     .7998  .7535  -.0170        .010
OH49    .0897  .7974   .4743        .018
O50     .1009  .9776   .5320        .012
O51     .0259  .8940   .3883        .013
O52     .9192  .8676   .5069        .010
OH53    .7833  .0914   .0728        .021
O54     .9862  .0815   .0643        .011
O55     .8410  .9270   .0145        .012
OH56    .8694  .0518  -.0589        .019
OH57    .4185  .7273   .0170        .022
O58     .6208  .7605   .0531        .015
O59     .5469  .6832  -.0909        .015
O60     .5161  .5866   .0130        .007
OH61    .3178  .6009   .0607    .5  .016
Wat61   .3178  .6009   .0607    .5  .016
OH62    .3643  .6421   .4757    .5  .016
Wat62   .3643  .6421   .4757    .5  .016
OH63    .6919  .9871   .4844    .5  .015
Wat63   .6919  .9871   .4844    .5  .015
OH64    .9500  .6837   .5097    .5  .016
Wat64   .9500  .6837   .5097    .5  .016
OH65    .4976  .8383   .3437    .5  .016
Wat65   .4976  .8383   .3437    .5  .016
OH66    .9983  .7346  -.0720    .5  .023
Wat66   .9983  .7346  -.0720    .5  .023
OH67    .4115  .8587   .5832    .5  .018
Wat67   .4115  .8587   .5832    .5  .018
OH68    .8083  .5035   .2584   1/3  .018
Wat68   .8083  .5035   .2584   2/3  .018
OH69    .6482  .9471   .0709    .5  .016
Wat69   .6482  .9471   .0709    .5  .016
OH70    .7873  .1282   .2213    .5  .019
Wat70   .7873  .1282   .2213    .5  .019
OH71    .1750  .5042   .3416    .5  .020
Wat71   .1750  .5042   .3416    .5  .020
OH72    .9342  .5806   .1751    .5  .013
Wat72   .9342  .5806   .1751    .5  .013
OH73    .0041  .5914   .3454    .5  .032
Wat73   .0041  .5914   .3454    .5  .032
OH74    .5088  .8431   .7374   1/3  .024
Wat74   .5088  .8431   .7374   2/3  .024
OH75    .3160  .7384   .6497    .5  .032
Wat75   .3160  .7384   .6497    .5  .032
OH76    .0578  .7339   .2944   1/3  .016
Wat76   .0578  .7339   .2944   2/3  .016
OH77    .8689  .4552   .3936    .5  .011
Wat77   .8689  .4552   .3936    .5  .011
OH78    .0431  .7112   .1251    .5  .023
Wat78   .0431  .7112   .1251    .5  .023
OH79    .4531  .8262   .1748   1/4  .020
Wat79   .4531  .8262   .1748   3/4  .020
OH80    .3807  .0087   .3308   1/3  .028
Wat80   .3807  .0087   .3308   2/3  .028
OH81    .4530  .0310   .0990   1/4  .022
Wat81   .4530  .0310   .0990   3/4  .022
OH82    .2776  .9402   .1739   1/4  .021
Wat82   .2776  .9402   .1739   3/4  .021
Wat83    .112   .528   .1579    .6  .018
Wat84    .409   .782   .8444    .6  .021
Wat85    .994   .552   .0435    .6  .026
Wat86    .876   .174   -.065    .4  .033
Wat87    .219   .721   -.059   .25  .026
Wat88a   .786   .317    .205    .5  .037
Wat88b   .774   .320    .205    .5  .028
Wat89a   .258   .815    .433    .5  .015
Wat89b   .258   .824    .407   .25  .018
Wat90a   .240   .809    .266    .3  .014
Wat90b   .210   .789    .222    .3  .020
Wat91a   .867   .442    .032    .4  .031
Wat91b   .885   .418   -.002    .3  .021
Wat92a   .330   .831   -.016   .25  .039
Wat92b   .392   .879   -.013    .3  .025
Wat92c   .454   .898   -.005   .25  .040
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Tillmannsite
 
Sarp H, Pushcharovsky D Y, MacLean E J, Teat S J, Zubkova N V
 
European Journal of Mineralogy 15 (2003) 177-180
Tillmannsite, (Ag3Hg)(V,As)O4, a new mineral: its description and
crystal structure
_database_code_amcsd 0006963
7.727 7.727 4.648 90 90 90 I-4
atom     x     y     z   occ Biso
Ag   .5707 .6624 .2896 .7525 2.01
Hg   .5707 .6624 .2896 .2475 2.01
V       .5     0   .75   .68  1.5
As      .5     0   .75   .36  1.5
O     .659 .9159  .548        1.8
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Mahnertite
Download hom/mahnertite.pdf
Pushcharovsky D Y, Zubkova N V, Teat S J, Maclean E J, Sarp H
 
European Journal of Mineralogy 16 (2004) 687-692
Crystal structure of mahnertite
_database_code_amcsd 0007079
10.037 10.037 23.739 90 90 90 I4/mmm
atom      x      y      z  occ  Uiso
Na       .5      0  .3700  .88  .025
Ca       .5      0  .3700  .12  .025
Cu1      .5  .2707 .28092      .0164
Cu2       0      0  .3783      .0201
Cu3    .184   .184  .4556 .125  .047
As   .20754 .20754 .32286      .0143
O1    .3704  .1708  .3235       .023
O2    .1400  .1400  .2634       .015
O3    .1370  .1370  .3794       .022
Wat1   .340      0  .4443        .16
Wat2     .5    .31   .451  .25   .17
Wat3     .5    .23   .441  .25   .15
Wat4   .626   .305   .449 .125   .09
Cl5      .5     .5  .3433       .026
Cl6       0      0     .5   .5  .028
Wat6      0      0     .5   .5  .028
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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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Hilairite-(Rb)
 
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
 
European Journal of Mineralogy 21 (2009) 495-506
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
Locality: Kirovskii  mine, Khibiny alkaline complex, Kola Peninsula, Russia
Note: sample was synthesized by cation exchange at 150 C
_database_code_amcsd 0007281
10.477 10.477 15.377 90 90 120 R3
atom      x      y       z  occ   Uiso
Rb1      .0     .0 -.06577      .03552
Rb2   .3340 .89493  .10497 .870  .0378
Na2   .3340 .89493  .10497 .130  .0378
Zr1      .0     .0  .19048      .01237
Zr2     1/3    2/3  .33918      .01029
Si1   .3408 .23028  .10909       .0193
Si2  .05776  .7287  .27305       .0215
O1    .1878  .0765   .1134       .0253
O2    .2094  .7260   .2641       .0253
O3    .1112  .1867   .2674       .0249
O4    .4019  .8530   .4176       .0149
O5    .9380  .6203   .2036       .0277
O6    .3239  .3386   .0411       .0305
Wat    .733   .741   -.049  .23   .051
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Hilairite-(Sr)
 
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
 
European Journal of Mineralogy 21 (2009) 495-506
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
Locality: Kirovskii  mine, Khibiny alkaline complex, Kola Peninsula, Russia
Note: sample was synthesized by cation exchange at 150 C
_database_code_amcsd 0007282
20.964 20.964 7.836 90 90 120 R3
atom        x      y      z  occ   Uiso
Sr1a    .7976  .6512  .2809 .331   .042
Sr1b    .8229  .6342  .1516 .393   .063
Sr1c    .8672  .6894  .1497 .299  .0345
Sr2     .3482  .6455  .2819 .330  .0410
Zr1         0      0 .05775       .0155
Zr2    .50235 .49769 .04918       .0175
Si1     .6711  .6300 -.0898       .0482
Si2     .5401  .3658  .1876       .0260
Si3     .3295  .4565  .1786       .0413
Si4     .3848  .5432 -.1484       .0188
O1      .5987  .5565  -.091        .045
O2      .5396  .5821   .215        .032
O3      .6826  .6689   .102        .065
O4      .6101  .3629   .209        .039
O5      .3426  .5142  .3396        .060
O6      .5496  .4497  .1925        .021
O7      .4800  .3112   .331        .043
O8      .2533  .3865   .193        .041
O9      .3254  .4963  -.008        .044
O10     .4035  .4451  .1740        .029
O11     .4592  .5475  -.120        .056
O12     .3921  .6256  -.155        .038
Wat1     .832  .7748   .227  .64   .074
Wat2    .6872  .5256   .241  .33   .027
Wat3    .4220  .6655   .178  .73   .076
Wat4     .915   .673   .161  .50   .066
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Hilairite-(Ba)
 
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
 
European Journal of Mineralogy 21 (2009) 495-506
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
Locality: Kirovskii  mine, Khibiny alkaline complex, Kola Peninsula, Russia
Note: sample was synthesized by cation exchange at 150 C
_database_code_amcsd 0007283
20.976 20.976 7.857 90 90 120 R3
atom        x      y      z  occ   Uiso
Ba1    .82788 .65729 .21606 .981  .0363
Ba2       1/3    2/3 .22359 .888  .0415
Zr1         0      0 .04324       .0103
Zr2    .50167 .49847 .05010      .01048
Si1    .67151 .62881 -.0854       .0182
Si2    .53776 .36444  .1893       .0186
Si3    .32781  .4561  .1793       .0299
Si4    .38388 .54418 -.1438       .0193
O1      .5992  .5513 -.0868       .0255
O2      .5464  .5834  .2222        .028
O3      .6837  .6671  .0998        .035
O4      .6158  .3712  .2147        .028
O5      .3445  .5121  .3365       .0339
O6      .5339  .4418  .2033       .0264
O7      .4813  .3134  .3367       .0195
O8      .2544  .3827  .2013       .0302
O9      .3239  .4970  .0022       .0357
O10     .4010  .4477  .1735       .0292
O11     .4601  .5487 -.1112       .0252
O12     .3817  .6229 -.1456        .050
Wat1    .8326  .7871  .2289       .0345
Wat2    .6972  .5293  .2186        .045
Wat3    .4609  .6694  .2128        .058
Wat4    .9668  .6748  .1892        .048
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Hilairite-(Ca)
 
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
 
European Journal of Mineralogy 21 (2009) 495-506
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
Locality: Kirovskii  mine, Khibiny alkaline complex, Kola Peninsula, Russia
Note: sample was synthesized by cation exchange at 150 C
_database_code_amcsd 0007284
10.456 10.456 7.995 90 90 120 R3
atom        x      y       z  occ   Uiso
Ca1a        0      0  .65406 .769  .0440
Ca1b        0      0    .570 .057   .044
Zr          0      0  .05443      .01018
Si     .41057 .41756  .52857      .01112
O1      .0922  .1779   .8848       .0161
O2     -.0929 -.1912   .1900       .0167
O3      .6588  .0166   .0176       .0189
Wat     .0112  .2011   .5025       .0644
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Hilairite-(Pb)
 
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
 
European Journal of Mineralogy 21 (2009) 495-506
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
Locality: Kirovskii  mine, Khibiny alkaline complex, Kola Peninsula, Russia
Note: sample was synthesized by cation exchange at 150 C
_database_code_amcsd 0007285
10.477 10.477 7.994 90 90 120 R3
atom        x      y       z  occ   Uiso
Pb1a        0      0 .647926 .801 .02456
Na1a        0      0 .647926 .179 .02456
Pb1b        0      0    .456 .020   .016
Zr          0      0  .06932       .0109
Si     .40987 .41728  .53671       .0132
O1      .0923  .1772   .8923       .0179
O2     -.0923 -.1913   .2001       .0194
O3      .6607  .0182   .0231       .0220
Wat     .0127  .2422   .5170  .95   .046
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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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Shlykovite
 
Zubkova N V, Filinchuk Y E, Pekov I V, Pushcharovsky D Y, Gobechiya E R
 
European Journal of Mineralogy 22 (2010) 547-555
Crystal structures of shlykovite and cryptophyllite: comparative crystal
chemistry of phyllosilicate minerals of the mountainite family
Locality: Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia
_database_code_amcsd 0017556
6.4897 6.9969 26.714 90 94.597 90 P2_1/c
atom      x     y      z  Uiso
K    -.2533 .8663 .37057 .0391
Ca    .0189 .8392 .24336 .0210
Si1   .0011 .8447 .08283 .0190
Si2   .2318 .0640 .35444 .0205
Si3   .4083 .8447 .15613 .0215
Si4   .2350 .6265 .35640 .0196
O1   -.0897 .0496  .1005  .043
O2    .5482 .6525  .1562 .0317
O3    .1468 .1689  .4040 .0285
OH4  -.0340 .1558 -.0233 .0332
O5    .2810 .8491  .3730 .0230
O6    .1256 .6019  .3012 .0259
O7    .3315 .8941  .2101 .0277
O8    .0649 .0753  .3073 .0297
O9    .2270 .8010  .1136  .039
O10   .5390 .0191  .1335 .0273
Wat1 -.3252 .7724  .2731  .042
Wat2  -.265  .601 -.0265  .116
Wat3  .3528 .6823 -.0143  .039
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Cryptophyllite
 
Zubkova N V, Filinchuk Y E, Pekov I V, Pushcharovsky D Y, Gobechiya E R
 
European Journal of Mineralogy 22 (2010) 547-555
Crystal structures of shlykovite and cryptophyllite: comparative crystal
chemistry of phyllosilicate minerals of the mountainite family
Locality: Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia
_database_code_amcsd 0017557
6.4934 6.9919 32.087 90 94.680 90 P2_1/n
atom      x     y      z  Uiso
K1   -.0773 .3757 .14911 .0267
K2    .4642 .3655 .05485 .0458
Ca    .2275 .8469 .24478 .0101
Si1   .4166 .1350 .16108 .0097
Si2   .4156 .5747 .16335 .0091
Si3  -.2152 .8568 .17356 .0101
Si4   .1402 .8539 .11015 .0102
O1    .2820 .5798 .20226 .0134
O2    .4557 .3556 .14722 .0141
O3    .3399 .1097 .20594 .0171
O4    .0613 .8522 .06211 .0168
O5    .3051 .6837 .12212 .0192
O6   -.1077 .9049 .21850 .0141
O7    .6464 .6611 .17274 .0202
O8   -.0513 .8194 .13918 .0221
O9    .2518 .0558 .12330 .0206
O10  -.3636 .0301 .15437 .0140
Wat1  .5913 .7909 .26910 .0203
Wat2 -.3397  .007  .0629  .064
Wat3  .4071 .7198  .0228  .047
Wat4  .1115 .2050  .0224  .035
Wat5 -.1236 .4715  .0653  .036
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Stronadelphite
 
Pekov I V, Britvin S N, Zubkova N V, Pushcharovsky D Y, Pasero M, Merlino S
 
European Journal of Mineralogy 22 (2010) 869-874
Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral
Locality: Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr,
in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia
_database_code_amcsd 0017880
9.845 9.845 7.383 90 90 120 P6_3/m
atom     x      y      z occ  Uiso
SrM1   1/3    2/3 -.0004  .9 .0206
CaM1   1/3    2/3 -.0004  .1 .0206
SrM2 .2393 -.0147    .25     .0208
P    .4005  .3689    .25     .0165
O1   .3326  .4826    .25      .018
O2   .5804  .4640    .25      .028
O3   .3455  .2637  .0797      .028
F        0      0    .25      .074
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Pseudolyonsite
 
Zelenski M E, Zubkova N V, Pekov I V, Boldyreva M M, Pushcharovsky D Y, Nekrasov A N
 
European Journal of Mineralogy 23 (2011) 475-481
Pseudolyonsite, Cu3(VO4)2, a new mineral species
from the Tolbachik volcano, Kamchatka Peninsula, Russia
Locality: Tolbachik volcano, Kamchatka Peninsula, Russia
_database_code_amcsd 0018365
6.2695 8.0195 6.3620 90 111.96 90  P2_1/c
atom       x      y      z occ   Uiso
V     .24993 .61919 .14155 .97 .00670
Mo    .24993 .61919 .14155 .02 .00670
Cu1        0      0      0 .88  .0115
Zn1        0      0      0 .12  .0115
Cu2   .26769 .24606 .39505 .88 .01039
Zn2   .26769 .24606 .39505 .12 .01039
O1     .0137  .7611  .0335      .0097
O2     .2309  .4935  .3565      .0109
O3     .5030  .7266  .2401      .0097
O4     .7534  .5004  .0738      .0107
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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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Podlesnoite
 
Zubkova N V, Pushcharovsky D Y, Pekov I V, Rabadanov M K
 
Zeitschrift fur Kristallographie 222 (2007) 474-476
The crystal structure of podlesnoite, BaCa2(CO3)2F2
Locality: Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0011129
12.501 5.846 9.443 90 90 90 Cmcm
atom      x      y      z   Uiso
Ba        0 .00127    .75 .01131
Ca   .14634     .5     .5 .00889
C     .2468  .3442    .25  .0105
O1   .29746  .3403 .36728  .0144
O2   .14362  .3656    .25  .0148
F         0  .2642  .5059  .0145
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Mountainite
Download hom/mountainite.pdf
Zubkova N V, Pekov I V, Pushcharovsky D Y, Chukanov N V
 
Zeitschrift fur Kristallographie 224 (2009) 389-396
The crystal structure and refined formula of mountainite, KNa2Ca2[Si8O19(OH)]*6H2O
Locality: Yubileinaya pegmatite, Lovozero alkaline complex, Kola Peninsula, Russia
_database_code_amcsd 0011131
13.704 6.5760 13.751 90 105.752 90 P2/c
atom       x     y      z occ  Uiso
K          0 .2758    .25     .0292
Na1    .4500 .8466  .5817  .5  .043
Na2    .4317 .7075  .4412  .5  .030
Ca    .01912 .2444 .56031     .0129
Si1   .33509 .2235 .64951     .0117
Si2    .2193 .4690  .7635     .0109
Si3    .2042 .1638  .1284     .0118
Si4    .2096 .5042  .9833     .0120
O1     .7958 .2940  .2696      .022
O2     .1192 .3437  .7139      .018
O3     .3196 .3818  .7349      .018
O4     .9034 .0768  .4265     .0225
O5     .2724 .2975  .5383      .020
O6     .2543 .4703  .8860      .016
O7     .7495 .3064  .4441      .017
O8     .2930 .0055  .6734      .021
O9     .4534 .2051  .6583  .5  .022
OH9    .4534 .2051  .6583  .5  .022
O10    .0909 .4634  .4603      .018
Wat11  .9094 .0837  .6512      .023
Wat12     .5  .685    .75      .075
Wat13  .4747  .573  .4691  .5  .038
Wat14  .3600  .050  .3973  .5  .042
Wat15  .5488  .938  .5680  .5  .055
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Seidozerite
Download hom/seidozerite.pdf
Pushcharovskii D Yu, Pasero M, Merlino S, Vladykin N V, Zubkova N V,
Gobechiya E R
 
Crystallography Reports 47 (2002) 196-200
Crystal structure of zirconium-rich seidozerite
Locality: Burpala alkaline massif, Russia
_database_code_amcsd 0012377
5.627 7.134 18.590 90 102.68 90 P2/c
atom     x     y      z  occ  Uiso
Na1  .2051 .6157  .0695 .965 .0113
Ca1  .2051 .6157  .0695 .035 .0113
Na2      0 .6149    .25  .86 .0218
Ca2      0 .6149    .25  .14 .0218
Ca      .5 .8656    .25 .340 .0332
Mn      .5 .8656    .25 .270 .0332
Na      .5 .8656    .25 .160 .0332
Zr1  .2004 .1193 .07342   .8 .0097
Ti1  .2004 .1193 .07342   .2 .0097
Ti2      0 .1153    .25  .70 .0114
Zr2      0 .1153    .25  .25 .0114
Mn3     .5 .3566    .25  .58 .0174
Na3     .5 .3566    .25  .25 .0174
Ti3     .5 .3566    .25  .05 .0174
Si1  .7273 .3872  .1046      .0100
Si2  .7217 .8422  .1049      .0099
O1    .738 .6135  .1096       .023
O2    .451 .3264  .0680       .021
O3    .440 .9015  .0763       .020
O4    .927 .3267  .0586       .016
O5    .904 .9073  .0518       .014
O6    .797 .3154  .1900       .016
O7    .817 .9141  .1888       .017
O8    .240  .124  .1849       .019
F     .301  .600  .1922       .039
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Calciohilairite
Download hom/calciohilairite.pdf
Pushcharovsky D Y, Pekov I V, Pasero M, Gobechiya E R, Merlino S, Zubkova N V
 
Crystallography Reports 47 (2002) 748-752
Crystal structure of cation-deficient calciohilairite and possible mechanisms of
decationization in mixed-framework minerals
Locality: Lovozero massif, Kola Peninsula, Russia
_database_code_amcsd 0012381
10.498 10.498 7.975 90 90 120 R32
atom      x     y     z   occ  Uiso
CaA1      0     0  .615   1/6  .096
NaA1      0     0  .615   1/6  .096
WatA2     0  .201    .5   2/3  .148
H3OA2     0  .201    .5   1/3  .148
Zr        0     0     0       .0161
Si    .4141 .4141    .5       .0190
O1    .0951 .1860 .8488       .0255
O2    .6475     0     0        .038
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Zdenekite
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Zubkova N V, Pushcharovsky D Y, Sarp H, Teat S J, MacLean E J
 
Crystallography Reports 48 (2003) 939-943
Crystal structure of zdenekite NaPbCu5(AsO4)4Cl*5H2O
Locality: Cap Garrone copper-lead mine, France
_database_code_amcsd 0012387
10.023 19.55 10.023 90 90.02 90 P2_1/n
atom     x     y     z Uiso
Pb1   .362 .5891 .2160 .050
As1   .152 .8361  .919 .007
As2   .148 .8473  .503 .050
As3   .066 .6598  .424 .006
As4   .060 .6641  .010 .009
Cu1   .128 .7151  .714 .001
Cu2  -.138 .7838  .989 .010
Cu3   .081  .794  .207 .035
Cu4   .364 .7094  .946 .017
Cu5  -.143 .5931  .215 .027
Na   -.135  .604  .707 .027
Cl    .634  .367  .289 .026
O1    .235  .671  .372 .001
O2    .271  .164  .460 .001
O3    .541  .854  .096 .001
O4   -.013  .739  .375 .001
O5   -.022  .826  .901 .001
O6    .014  .657  .834 .001
O7    .820  .160  .918 .001
O8    .211  .770  .580 .001
O9    .780  .241  .148 .001
O10   .235  .909  .563 .001
O11   .820  .157  .660 .001
O12   .502  .090  .430 .001
O13   .002  .863  .537 .001
O14   .204  .916  .828 .001
O15  -.008  .723  .081 .001
O16  -.044  .597  .364 .001
Wat1  .206  .504  .148 .001
Wat2 -.172  .479  .233 .001
Wat3 -.142  .538  .558 .001
Wat4  .035  .994  .657 .001
Wat5  .390  .522  .412 .001
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Byelorussite-(Ce)
Download hom/byelorussitece.pdf
Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Krotova O D
 
Crystallography Reports 49 (2004) 964-968
Crystal structure of byelorussite-(Ce) NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)*H2O
Locality: Diabazavoe occurence, Zhitkovichi District, Belarus
_database_code_amcsd 0012389
22.301 10.514 9.669 90 90 90 Ama2
atom      x       y      z occ   Uiso
Na       .5      .5  .3203 .95  .0283
K        .5      .5  .3203 .05  .0283
Mn       .5      .5      0 .52  .0165
Zn       .5      .5      0 .27  .0165
Fe       .5      .5      0 .16  .0165
Mg       .5      .5      0 .05  .0165
Ba1     .75 -.07387  .3615 .95  .0202
Sr1     .75 -.07387  .3615 .05  .0202
Ba2     .75 -.04209 -.1267 .95  .0187
Sr2     .75 -.04209 -.1267 .05  .0187
Ce   .52267  .18439  .1269     .01638
Ti   .68617  .19084  .1336      .0125
Si1  .62861   .4743  .1345      .0128
Si2  .60320   .2019 -.1689      .0135
Si3  .61373   .1771  .4339      .0129
Si4  .62760   .4057 -.3966      .0139
O1    .6824   .0055  .1150      .0168
O2      .75  -.2997  .5028      .0147
O3    .4374   .0415  .0630      .0208
O4      .75   .1792  .2640      .0136
O5    .5617   .4176  .1265      .0206
O6    .6357   .5758  .2638      .0191
O7    .6152   .1733  .2667      .0157
O8    .6232   .2081 -.0092      .0178
O9    .6822   .3743  .1579      .0165
O10   .6519   .3032 -.5138      .0175
O11   .6497   .0507  .4930      .0180
O12   .6302   .3273 -.2494      .0224
O13   .5493   .1752  .5065      .0184
O14   .5317   .1985 -.1781      .0244
F        .5      .5 -.2031  .7   .028
OH       .5      .5 -.2031  .3   .028
Wat     .75   .6968  .1761       .040
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Parakeldyshite
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Pekov I V, Zubkova N V, Pushcharovsky D Y, Kolitsch U, Tillmanns E
 
Crystallography Reports 52 (2007) 1066-1071
Refined crystal structure of parakeldyshite and genetic crystal
chemistry of zirconium minerals with [Si2O7] diorthogroups
Locality: Alluaiv Mountain (Lovozero), Kola Peninsula, Russia
_database_code_amcsd 0018674
6.617 8.813 5.426 87.26 85.68 71.75 P-1
atom       x       y        z  occ   Uiso
Na1    .8769  .09573  -.25739 .819  .0209
H1     .8769  .09573  -.25739 .066  .0209
Na1'    .827   .0624   -.2682 .085  .0209
Na1"    .759    .004    -.274 .030  .0209
Na2   .34251  .50132   .23243      .01722
Zr   .289623 .270621 -.221466      .00530
Si1   .64397  .14776   .22433      .00560
Si2   .93730  .33444   .31565      .00551
O1    .29140  .03947  -.16584      .01355
O2    .87893  .16677   .27825      .01047
O3    .49007  .20905   .46593      .01444
O4    .56307  .25335  -.02375      .00894
O5    .00766  .31950   .59858      .00951
O6    .12482  .33736   .11279      .01042
O7    .27715  .51311  -.28980      .00902
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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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Murunskite
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Pekov I V, Zubkova N V, Lisitsyn D V, Pushcharovsky D Y
 
Doklady Earth Sciences 424 (2009) 139-141
Crystal chemistry of murunskite
Locality: Murun pluton, Eastern Siberia, Russia
_database_code_amcsd 0017729
3.8460 3.8460 13.308 90 90 90 I4/mmm
atom x  y      z  occ  Uiso
K    0  0      0 .737 .0367
Cu   0 .5    .25  .74 .0223
FeCu 0 .5    .25  .27 .0223
S    0  0 .35177      .0188
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Yegorovite
 
Zubkova N V, Pekov I V, Pushcharovskii D Y, Kazantsev S S
 
Doklady Earth Sciences 427 (2009) 814-818
Crystal structure of yegorovite Na4[Si4O8(OH)4]*7H2O
Locality: Lovozero alkaline complex, Kola Peninsula, Russia
_database_code_amcsd 0012513
9.8744 12.3981 14.8973 90 104.675 90 P2_1/c
atom      x      y      z  Uiso
Na1   .0532  .6184 .06992 .0275
Na2   .7635  .8608 .05829 .0286
Na3   .3045  .8923 .07159 .0311
Na4   .4902  .6251 .05502 .0298
Si1  .59375 .82135 .22737 .0138
Si2  .85409 .68222 .23240 .0125
Si3  .34122 .67253 .23305 .0138
Si4  .10049 .83149 .23761 .0152
O1    .0665  .4265  .0859 .0279
H1a    .033   .412   .125  .005
H1b    .134   .463   .106   .04
O2    .6751  .6900  .0002 .0282
H2a    .673   .675  -.056   .03
H2b    .690   .640   .046   .15
O3    .9783  .7937  .0089 .0388
H3a    .027   .851   .045   .05
H3b    .958   .809  -.059  .034
O4    .3337  .7544 -.0283 .0365
H4a    .252   .724  -.062   .08
H4b    .389   .783  -.064   .10
O5    .3959  .6184  .3321 .0195
O6    .9024  .6274  .3312 .0165
O7    .1549  .8839  .3376 .0223
O8    .6507  .8788  .3248 .0249
O9    .8697  .6008  .1481 .0170
H9     .867   .540   .157  .003
O10   .9385  .7913  .2161 .0199
O11   .4369  .7711  .2109 .0218
O12   .5796  .9035  .1385 .0234
H12    .629   .947   .170   .10
O13   .6876  .7188  .2082 .0181
O14   .1833  .7219  .2185 .0185
O15   .8270  .0419  .0922 .0290
H15a   .908   .073   .120  .005
H15b   .746   .058   .107   .08
O16   .3241  .5891  .1458 .0201
H16    .346  .5312   .148  .018
O17   .1186  .9136  .1562 .0210
H17    .123   .971   .172   .09
O18   .5769  .4585  .1060 .0303
H18a   .658   .452   .110   .04
H18b   .535   .428   .137  .018
O19   .3282  .0756  .0944 .0254
H19a   .405   .095   .123   .03
H19b   .261   .117   .117   .10
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Chesnokovite
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Pekova I V, Chukanov N V, Zadov A E, Zubkova N V, Pushcharovsky D Yu
 
Geology of Ore Deposits 49 (2007) 727-738
Chesnokovite, Na2[SiO2(OH)2]*8H2O, the first natural sodium orthosilicate from
the Lovozero alkaline pluton, Kola Peninsula: Description and crystal structure
of a new mineral species
Locality: Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia
_database_code_amcsd 0012665
11.7119 19.973 11.5652 90 90 90 Ibca
atom     x     y     z Uiso
Na   .1244 .1817 .4143 .038
Si   .3770     0   .25 .028
O1   .2898 .0540 .1696 .039
O2   .4469 .0541 .3319 .030
O3    .119 .0379 .4339 .033
O4   .1122 .1649 .2061 .025
O5   .4140 .1755 .0536 .044
O6   .3215 .1905 .3848 .047
H1     .27  .016   .11   .1
H2     .09  .035   .49   .1
H3     .04  .013   .39   .1
H4     .05  .138  .209   .1
H5     .17  .134  .205   .1
H6     .37  .133  .093   .1
H7     .40  .167 -.027   .1
H8     .38  .159  .365   .1
H9     .35  .238  .339   .1
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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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Arsentsumebite
Download hom/arsentsumebite.pdf
Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Kleimenov D A
 
Mineralogy and Petrology 75 (2002) 79-88
The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH)
Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia
_database_code_amcsd 0014646
7.804 5.890 8.964 90 112.29 90 P2_1/m
atom      x     y      z occ Biso
Pb1   .7163   .25  .2412      3.4
Pb2   .2987   .25  .3869      2.8
Cu        0     0      0     1.50
As1   .5584   .25 -.1715 .63  1.0
S1    .5584   .25 -.1715 .37  1.0
As2  -.0449   .25 -.3502 .37  1.2
S2   -.0449   .25 -.3502 .63  1.2
OH1   .1707   .25  .0811       .9
O2   -.2413   .25 -.4682      2.9
O3    .0928   .25  .5563      4.8
O4    .4336   .25  .9346      3.8
O5    .7754   .25 -.0543      2.1
O6   -.0002 .0302 -.2410      2.6
O7    .5099 .0252 -.2875      2.5
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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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Bismutocolumbite
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Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E,
Brandstatter F, Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
structural relation to the other ABO4 minerals with
stibiotantalite (SbTaO4) structure
Locality: Malkhan field, Central Transbaikalia, Russia
_database_code_amcsd 0014918
5.668 11.725 4.971 90 90 90 Pnna
atom     x     y     z occ  Uiso
Bi     .25    .5 .7803     .0184
Nb   .3488   .25   .25 .79 .0080
Ta   .3488   .25   .25 .21 .0080
O1   .1392 .3051 .5046     .0131
O2   .4143 .0979 .4124     .0092
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Stibiocolumbite
Download hom/stibiocolumbite.pdf
Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, Brandstatter F,
Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
structural relation to the other ABO4 minerals with
stibiotantalite (SbTaO4) structure
Locality: Mesa Grande, California, USA
_database_code_amcsd 0014919
5.557 4.932 11.808 90 90 90 Pna2_1
atom      x       y       z occ  Uiso
Sb   .52369  .04914  .24729     .0093
Nb   .88867 -.00667 -.00157 .33 .0048
Ta   .88867 -.00667 -.00157 .67 .0048
O1    .3462   .3313   .1576     .0084
O2    .8242   .8352   .8477     .0081
O3    .0845   .7119   .0563     .0106
O4    .1290   .2270  -.0483     .0117
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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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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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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
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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: 54
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