American Mineralogist Crystal Structure Database

3 matching records for this search.

Fluor-liddicoatite
 
Rozhdestvenskaya I V, Bronzova Y M, Frank-Kamenetskaya O V
Zolotarev A A, Kuznetsova L G, Bannova I I
 
Crystallography Reports 53 (2008) 223-227
Refinement of the crystal structure of calcium-lithium-aluminum tourmaline
from the pegmatite vein in the Sangilen Upland (Tuva Republic)
Locality: Sangilen Upland, Tuva Republic
_database_code_amcsd 0012397
15.894 15.894 7.115 90 90 120 R3m
atom      x      y     z occ  Uiso
CaX       0      0 .2289 .62 .0130
NaX       0      0 .2289 .32 .0130
AlY  .12379 .06190 .6319 .36 .0044
LiY  .12379 .06190 .6319 .33 .0044
FeY  .12379 .06190 .6319 .22 .0044
MgY  .12379 .06190 .6319 .08 .0044
TiY  .12379 .06190 .6319 .01 .0044
AlZ  .29735 .26050 .6113     .0052
SiT  .19223 .19026     0     .0044
B     .1094  .2188 .4533     .0058
FO1       0      0 .7861 .84 .0330
OH11  .0329  .0165  .797 .05 .0100
O2    .0600  .1200 .4784     .0151
O3    .2702  .1351 .5097     .0084
O4    .0921  .1842 .0727     .0087
O5    .1840  .0920 .0947     .0087
O6    .1968  .1868 .7754     .0067
O7    .2859  .2857 .0813     .0060
O8    .2097  .2702 .4408     .0069
H      .252   .126  .415 .76 .0400
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Fenaksite
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Rozhdestvenskaya I V, Bannova I I, Nikishova L V, Soboleva T V
 
Doklady Earth Sciences 398 (2004) 1029-1033
The crystal structure of fenaksite K2Na2Fe2Si8O20
Locality: synthetic
_database_code_amcsd 0012511
8.142 9.954 6.983 100.21 114.13 105.87 P-1
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .20125 .00942 .34106  .0209  .0144  .0211  .0267 .00604 .00859  .0108
Na    .1435 .41038  .6660  .0229  .0414  .0122  .0146  .0061  .0153  .0058
Fe   .10795 .40673 .15634 .00999 .01053 .00853 .01067 .00341 .00556 .00201
Si1  .35852 .72997 .12574 .00796  .0086  .0084  .0071 .00258 .00432 .00301
Si2  .35887 .72840 .55640 .00859  .0097  .0086  .0066 .00238 .00415 .00198
Si3  .17367 .86816 .79338 .00833  .0102  .0060  .0089 .00332 .00454 .00243
Si4  .69635 .78618 .03015 .00750  .0080  .0063  .0086 .00310 .00425 .00228
O1    .5496  .7112  .1197  .0165  .0159  .0206  .0249  .0104  .0156  .0141
O2    .3257 .86531  .0326  .0131  .0150  .0100  .0113  .0040  .0037  .0051
O3    .4215  .7940  .3874  .0140  .0165  .0141  .0076  .0002  .0069  .0021
O4    .1697 .58196  .9953  .0114  .0104  .0084  .0125  .0025  .0040  .0028
O5    .2184  .5602  .4568  .0178  .0245  .0094  .0122  .0017  .0090  .0005
O6    .4331  .2302  .2272  .0171  .0138  .0256  .0091  .0073  .0032  .0058
O7    .7464  .1660  .3816  .0172  .0235  .0226  .0159  .0155  .0137  .0089
O8    .0438  .2395  .2994  .0154  .0117  .0120  .0190  .0012  .0056  .0071
O9    .8101 .96193  .1744  .0166  .0156  .0062  .0199  .0043  .0024  .0012
O10   .8553 .71690  .0685  .0124  .0128  .0121  .0153  .0080  .0077  .0039
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Volborthite
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Kashaev A A, Rozhdestvenskaya I V, Bannova I I, Sapozhnikov A N, Glebova O D
 
Journal of Structural Chemistry 49 (2008) 708-711
Balance, uniformity, and asymmetry of the structure of volborthite
Cu3(OH)2(V2O7)*2H2O
Locality: not given
_database_code_amcsd 0018692
10.646 5.867 14.432 90 95.19 90 Ia
atom      x     y      z  Uiso
Cu1       0 .7492      0 .0076
Cu2  .24954     0 .49886 .0063
Cu3  .24380 .4905 .50135 .0088
V1   .00232 .2738 .87181 .0061
V2   .49457 .7720 .12562 .0061
O1    .5705 .0098  .0878 .0087
O2   -.0678 .5021  .9140 .0140
O3    .3389 .7459  .5761 .0066
O4    .1558 .2439  .4252 .0133
O5    .0772 .4606  .0997 .0136
O6    .4262 .9532  .8983 .0114
O7    .5011 .7960  .2483 .0195
O-H1  .1585 .7517  .9391 .0098
O-H2  .3438 .2534  .0561 .0046
OW1   .3193 .2295  .7375  .032
OW2   .1688 .7522  .2586  .050
H1     .661  .247   .379  .017
H2     .352  .242   .138  .018
H3     .857  .848   .289  .084
H4     .808  .865   .781  .038
H5     .625  .167   .201  .063
H6     .170  .620   .215
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Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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