American Mineralogist Crystal Structure Database

1 matching records for this search.

Quadruphite
Download hom/quadruphite.pdf
Sokolova E V, Hawthorne F C
Download cm/vol39/CM39_1275.pdf
The Canadian Mineralogist 39 (2001) 1275-1294
The crystal chemistry of the [M3_11-14] trimeric structures:
From hyperagpaitic complexes to saline lakes
_database_code_amcsd 0005739
5.4206 7.0846 20.3641 86.89 94.42 89.94 P1
atom        x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
TiA(1) .69487 .98405 .64379 .63 .0091  .0068  .0074  .0129  .0001  .0009  .0000
NbA(1) .69487 .98405 .64379 .22 .0091  .0068  .0074  .0129  .0001  .0009  .0000
ZrA(1) .69487 .98405 .64379 .15 .0091  .0068  .0074  .0129  .0001  .0009  .0000
TiA(2) .41629 .32801 .33580 .63 .0093  .0075  .0076  .0127  .0002  .0013  .0002
NbA(2) .41629 .32801 .33580 .22 .0093  .0075  .0076  .0127  .0002  .0013  .0002
ZrA(2) .41629 .32801 .33580 .15 .0093  .0075  .0076  .0127  .0002  .0013  .0002
TiA(3) -.2158  .7673 .49479 .65 .0123  .0171  .0100  .0096  .0002 -.0002  .0002
MnA(3) -.2158  .7673 .49479 .22 .0123  .0171  .0100  .0096  .0002 -.0002  .0002
FeA(3) -.2158  .7673 .49479 .05 .0123  .0171  .0100  .0096  .0002 -.0002  .0002
ZrA(3) -.2158  .7673 .49479 .08 .0123  .0171  .0100  .0096  .0002 -.0002  .0002
TiA(4) -.6719  .5444 .48481 .64 .0121  .0180  .0095  .0087  .0016 -.0005 -.0006
MnA(4) -.6719  .5444 .48481 .22 .0121  .0180  .0095  .0087  .0016 -.0005 -.0006
FeA(4) -.6719  .5444 .48481 .05 .0121  .0180  .0095  .0087  .0016 -.0005 -.0006
ZrA(4) -.6719  .5444 .48481 .09 .0121  .0180  .0095  .0087  .0016 -.0005 -.0006
NaM(1)  .8625  .1526 .07805 .44 .0190  .0205  .0200  .0162  .0008  .0011 -.0002
MgM(1)  .8625  .1526 .07805 .25 .0190  .0205  .0200  .0162  .0008  .0011 -.0002
MnM(1)  .8625  .1526 .07805 .21 .0190  .0205  .0200  .0162  .0008  .0011 -.0002
CaM(1)  .8625  .1526 .07805 .10 .0190  .0205  .0200  .0162  .0008  .0011 -.0002
CaM(2)  .3121  .3925 .03394 .69 .0175  .0220  .0152  .0154 -.0008  .0018 -.0018
NaM(2)  .3121  .3925 .03394 .31 .0175  .0220  .0152  .0154 -.0008  .0018 -.0018
CaM(3) -.2133  .9196 .94546 .56 .0198  .0248  .0183  .0161  .0004  .0000 -.0006
NaM(3) -.2133  .9196 .94546 .38 .0198  .0248  .0183  .0161  .0004  .0000 -.0006
SrM(3) -.2133  .9196 .94546 .06 .0198  .0248  .0183  .0161  .0004  .0000 -.0006
NaM(4)  .3106  .1591 .90089 .46 .0187  .0205  .0198  .0159  .0006  .0014 -.0014
MgM(4)  .3106  .1591 .90089 .25 .0187  .0205  .0198  .0159  .0006  .0014 -.0014
MnM(4)  .3106  .1591 .90089 .20 .0187  .0205  .0198  .0159  .0006  .0014 -.0014
CaM(4)  .3106  .1591 .90089 .09 .0187  .0205  .0198  .0159  .0006  .0014 -.0014
Na(1)  -.2159  .4048  .9358     .0158  .0206  .0108  .0155 -.0025 -.0011  .0004
Na(2)   .7493  .6991  .7885     .0278  .0369  .0179  .0276  .0001 -.0028 -.0002
Na(3)   .4151 -.1606  .3256     .0209  .0227  .0215  .0179  .0008 -.0025  .0001
Na(4)   .2576  .9593  .7457     .0221  .0334  .0156  .0182  .0012  .0063 -.0026
Na(5)   .9032  .3512  .2341     .0212  .0285  .0160  .0185 -.0029 -.0041 -.0043
Na(6)  -.2014  .2726  .4933     .0227  .0149  .0184  .0344  .0037 -.0066 -.0113
Na(7)   .3120  .0404  .4865     .0223  .0148  .0222  .0297  .0042 -.0063 -.0100
Na(8)   .2899  .4303  .7661     .0300  .0444  .0238  .0222 -.0029  .0043 -.0029
Na(9)   .9206 -.1176  .2130     .0290  .0396  .0222  .0245  .0036 -.0028 -.0024
Na(10) -.3005  .4737  .6537     .0205  .0230  .0244  .0141 -.0006  .0032  .0019
Na(11)  .3601  .6111  .1901     .0287  .0376  .0164  .0325  .0003  .0064  .0015
Na(12)  .3161 -.0916  .0437     .0161  .0182  .0138  .0165  .0016  .0036  .0012
P(1)    .8024  .1866 .79434     .0130  .0170  .0106  .0117  .0005  .0015 -.0012
P(2)    .8018  .6363 .08917     .0139  .0150  .0147  .0120  .0013  .0001 -.0002
P(3)    .4174  .1258 .18494     .0133  .0167  .0110  .0120  .0010  .0003 -.0007
P(4)    .2448  .6753 .89000     .0137  .0171  .0126  .0113 -.0019  .0010 -.0001
Si(1)  -.8118  .2795 .61430     .0111  .0135  .0087  .0108  .0003  .0001 -.0006
Si(2)  -.0728  .6064 .35112     .0098  .0129  .0072  .0092  .0005  .0002 -.0007
Si(3)   .1880  .7055 .62876     .0102  .0121  .0089  .0093 -.0002 -.0005  .0004
Si(4)  -.0830  .0336 .36531     .0108  .0142  .0087  .0093 -.0004  .0005  .0006
F(1)    .5627  .1563  .9980     .0211  .0152  .0224  .0258  .0010  .0023 -.0025
F(2)    .0565  .1563  .9815     .0212  .0131  .0229  .0272 -.0003 -.0015 -.0021
O(1)    .7220  .0204  .7502     .0211  .0231  .0145  .0134 -.0028  .0018 -.0036
O(2)   -.0793  .9932  .4433     .0212  .0193  .0193  .0094  .0021 -.0003 -.0016
O(3)   -.5249  .7645  .4406     .0169  .0206  .0122  .0116 -.0006  .0027  .0010
O(4)   -.8094  .3205  .5359     .0160  .0189  .0161  .0109  .0014  .0018 -.0002
O(5)   -.0280  .5860  .4313     .0148  .0197  .0117  .0114  .0008  .0016 -.0013
O(6)   -.3621  .5471  .5391     .0153  .0196  .0134  .0093  .0008  .0013  .0023
O(7)    .7162  .3788  .7633     .0142  .0421  .0117  .0187  .0047  .0025  .0031
O(8)    .6717  .9510  .5530     .0142  .0162  .0230  .0136 -.0039 -.0015  .0006
O(9)    .4397  .3613  .4264     .0243  .0185  .0234  .0112 -.0020  .0014 -.0020
O(10)   .1620  .5305  .3151     .0178  .0227  .0335  .0143  .0161  .0008 -.0037
O(11)   .9602  .7894  .6655     .0177  .0209  .0305  .0158  .0154  .0043 -.0007
O(12)   .1430  .7270  .5486     .0235  .0182  .0160  .0098  .0004 -.0022  .0003
O(13)   .4483  .7810  .6610     .0223  .0211  .0251  .0167 -.0151 -.0019  .0020
O(14)   .6733  .5238  .3184     .0149  .0300  .0344  .0116 -.0155  .0032 -.0045
O(15)   .4280  .1659  .6440     .0213  .0425  .0457  .0234  .0310 -.0051 -.0049
O(16)   .9129  .6130  .1603     .0251  .0306  .0204  .0153  .0004 -.0062  .0021
O(17)   .9339  .1840  .6339     .0371  .0447  .0425  .0270 -.0300  .0157 -.0096
O(18)  -.8032  .4799  .6515     .0195  .0364  .0090  .0126 -.0033 -.0008 -.0012
O(19)   .3408  .4841  .9212     .0309  .0325  .0283  .0307  .0106  .0052  .0120
O(20)   .8796  .8276  .0577     .0294  .0347  .0247  .0274 -.0047  .0035  .0124
O(21)   .6932  .1315  .1724     .0273  .0178  .0269  .0389 -.0003  .0077 -.0098
O(22)   .6877  .1518  .8602     .0250  .0381  .0219  .0156 -.0023  .0063 -.0009
O(23)   .0862  .1830  .8056     .0291  .0158  .0306  .0416 -.0030 -.0003 -.0115
O(24)   .8866  .4755  .0485     .0353  .0481  .0370  .0217  .0196  .0000 -.0141
O(25)   .5165  .6304  .0874     .0228  .0173  .0225  .0284  .0010  .0008  .0002
O(26)   .3149  .6990  .8188     .0235  .0363  .0197  .0155 -.0017  .0090  .0000
O(27)  -.0408  .6806  .8914     .0236  .0175  .0240  .0295  .0015  .0057  .0019
O(28)   .2618  .1613  .1189     .0241  .0335  .0236  .0137  .0039 -.0075 -.0006
O(29)   .3523 -.0645  .2163     .0240  .0426  .0130  .0164 -.0043  .0020 -.0017
O(30)   .3557  .8366  .9301     .0367  .0513  .0337  .0268 -.0193  .0056 -.0120
O(31)   .3634  .2898  .2304     .0164  .0225  .0120  .0146  .0025 -.0005 -.0018
O(32)  -.0856  .8344  .3286     .0214  .0410  .0089  .0142  .0015  .0025  .0003
O(33)  -.3295  .1395  .3357     .0425  .0509  .0470  .0277  .0371 -.0135 -.0075
O(34)   .1571  .1408  .3436     .0441  .0546  .0519  .0293 -.0430  .0175 -.0139
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Total number of retrieved datasets: 1
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