American Mineralogist Crystal Structure Database

9 matching records for this search.

Thomsenolite
Download hom/thomsenolite.pdf
Adhikesavalu D, Cameron T S, Knop O
 
Canadian Journal of Chemistry 63 (1985) 3322-3327
Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite
_database_code_amcsd 0012167
5.563 5.541 16.1150 90 96.35 90 P2_1/c
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .2545  .1454  .2484  .0153  .0193  .0136  .0057  .0011  .0014
Ca1  .1894  .6745  .0990  .0042  .0053  .0074 -.0004 -.0005  .0002
Al1  .7177  .1796  .1391  .0045  .0036  .0068  .0001 -.0014  .0006
F1   .5496  .4643  .1267  .0079  .0082  .0144  .0044 -.0010 -.0003
F2   .9880  .3651  .1563  .0058  .0097  .0140 -.0042  -.001  .0021
F3   .4408  .0102  .1273  .0084  .0114  .0145 -.0062  .0014 -.0012
F4   .9039 -.0834  .1576  .0096  .0076  .0134  .0047  .0014  .0008
F5   .6873  .1985  .2497  .0082  .0145  .0082  .0010 -.0004 -.0001
F6   .7357  .1668  .0294  .0121  .0088  .0099 -.0023  .0003  .0010
Ow1  .8008  .6599  .0059  .0094  .0078  .0136  .0013  .0002  .0013
H1    .735   .622  .0583
H2    .749  .8216 -.0127
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Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: Imma refinement, T = ambient
_database_code_amcsd 0013477
7.051 9.968 7.285 90 90 90 *Imma
0 .25 .25
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    .25     0    .5  .0174  .0194  .0551      0 -.0046      0
Na2      0   .25   .75  .0222  .0333  .0143      0      0  .0095
Mg     .25     0     0  .0072  .0060  .0068      0  .0008      0
Al       0   .25   .25  .0076  .0067  .0070      0      0  .0019
F1       0     0 .8863  .0073  .0192  .0123      0      0      0
F3       0 .1648 .4709  .0177  .0152  .0092      0      0  .0014
F5   .1841 .1374 .1804  .0124  .0128  .0163  .0034  .0014 -.0059
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Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: Imma refinement, T = 133 K
_database_code_amcsd 0013478
7.050 9.979 7.297 90 90 90 *Imma
0 .25 .25
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    .25     0    .5  .0111  .0119  .0443      0 -.0033      0
Na2      0   .25   .75  .0143  .0247  .0123      0      0  .0072
Mg     .25     0     0  .0045  .0045  .0075      0  .0005      0
Al       0   .25   .25  .0049  .0047  .0074      0      0  .0013
F1       0     0 .8862  .0051  .0134  .0111      0      0      0
F3       0 .1644 .4713  .0120  .0105  .0094      0      0  .0002
F5   .1845 .1374 .1804  .0085  .0088  .0141  .0032  .0014 -.0038
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Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: Imm2 refinement, T = ambient
_database_code_amcsd 0013479
7.051 9.968 7.285 90 90 90 Imm2
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .2492     0 .4986  .0181  .0196  .0556      0 -.0049      0
Na2      0 .2534 .7503  .0229  .0332  .0150      0      0 -.0097
Mg   .2499     0     0  .0078  .0067  .0075      0  .0007      0
Al       0 .2499 .2503  .0082  .0073  .0076      0      0 -.0018
F1       0     0 .8844  .0109  .0195  .0164      0      0      0
F2       0    .5 .6119  .0056  .0196  .0096      0      0      0
F3       0 .1663 .4700  .0222  .0153  .0113      0      0  .0006
F4       0 .3367 .0282  .0151  .0174  .0084      0      0   .002
F5   .1838 .1378 .1805  .0129  .0159  .0154 -.0001  .0014 -.0094
F6   .3165 .1371 .8198  .0136  .0109  .0189 -.0067  .0022  .0026
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View JMOL 3-D Structure (permalink)
 
Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: Imm2 refinement, T = 133 K
_database_code_amcsd 0013480
7.050 9.979 7.297 90 90 90 Imm2
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .2498     0 .4964  .0122  .0130  .0416      0 -.0038      0
Na2      0 .2533 .7479  .0153  .0254  .0135      0      0 -.0062
Mg   .2488     0     0  .0053  .0054  .0089      0  .0002      0
Al       0 .2512 .2491  .0059  .0052  .0090      0      0 -.0005
F1       0     0 .8903  .0046  .0159  .0073      0      0      0
F2       0    .5 .6177  .0070  .0139  .0170      0      0      0
F3       0 .1650 .4752  .0178  .0078  .0065      0      0  .0019
F4       0 .3363 .0239  .0084  .0152  .0151      0      0 -.0015
F5   .1862 .1372 .1845  .0072  .0095  .0182  .0021  .0000 -.0052
F6   .3173 .1377 .8236  .0122  .0104  .0115 -.0024  .0025  .0024
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View JMOL 3-D Structure (permalink)
 
Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: I2_12_12_1 refinement, T = ambient
Note: y(F6) and z(F6) corrected
_database_code_amcsd 0013481
7.051 9.968 7.285 90 90 90 *I2_12_12_1
0 .25 .5
atom      x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1     .25 .0003    .5  .0177  .0192  .0553      0 -.0045      0
Na2  -.0027   .25   .75  .0219  .0333  .0149      0      0  .0095
Mg      .25 .0006     0  .0074  .0063  .0071      0 -.0008      0
Al    .0000   .25   .25  .0078  .0070  .0075      0      0 -.0018
F1        0     0 .8863  .0078  .0191  .0127 -.0029      0      0
F3   -.0016 .1648 .4709  .0184  .0159  .0095  .0035  .0004  .0014
F5    .1830 .1359 .1818  .0145  .0128  .0180  .0098  .0009 -.0061
F6    .3150 .6388 .6791  .0115  .0135  .0155 -.0032  .0025 -.0083
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: I2_12_12_1 refinement, T = 133 K
Note: y(F6) and z(F6) corrected
_database_code_amcsd 0013482
7.050 9.979 7.297 90 90 90 *I2_12_12_1
0 .25 .5
atom      x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1     .25 .0001    .5  .0119  .0122  .0440      0 -.0029      0
Na2  -.0004   .25   .75  .0148  .0251  .0120      0      0  .0069
Mg      .25 .0003     0  .0048  .0048  .0076      0  .0005      0
Al   -.0011   .25   .25  .0056  .0050  .0076      0      0 -.0010
F1        0     0 .8861  .0062  .0143  .0116      0      0      0
F3   -.0001 .1644 .4713  .0123  .0109  .0102      0 -.0020  .0003
F5    .1838 .1362 .1818  .0083  .0104  .0166 -.0012 -.0001 -.0033
F6    .3148 .6385 .6791  .0103  .0085  .0118  .0053  .0032 -.0038
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: I2mb refinement, T = ambient
Note: z(F6) corrected
_database_code_amcsd 0013483
7.051 9.968 7.285 90 90 90 *I2mb
0 .25 .25
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .2544     0 .4954  .0180  .0191  .0539      0 -.0045      0
Na2      0   .25   .75  .0213  .0335  .0146      0      0  .0095
Mg   .2522     0 .9990  .0073  .0059  .0068      0  .0008      0
Al   .0025   .25   .25  .0076  .0067  .0071      0      0 -.0018
F1   .0043     0 .8864  .0077  .0187  .0126      0  .0015      0
F3   .0042 .1649 .4709  .0180  .0156  .0094 -.0011 -.0009  .0014
F5   .1874 .1376 .1813  .0143  .0135  .0154  .0018  .0021 -.0064
F6   .3192 .1372 .8206  .0108  .0117  .0178  .0048  .0012 -.0051
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Weberite
Download hom/weberite.pdf
Knop O, Cameron T S, Jochem K
 
Journal of Solid State Chemistry 43 (1982) 213-221
What is the true space group of weberite?
Locality: Ivigtut, Greenland
Sample: I2mb refinement, T = 133 K
Note: z(F6) corrected
_database_code_amcsd 0013484
7.051 9.968 7.285 90 90 90 *I2mb
0 .25 .25
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .2536     0 .4958  .0121  .0122  .0432      0 -.0033      0
Na2      0   .25   .75  .0142  .0253  .0123      0      0  .0070
Mg   .2520     0 .9992  .0052  .0047  .0078      0  .0005      0
Al   .0014   .25   .25  .0053  .0052  .0078      0      0 -.0012
F1   .0013     0 .8862  .0054  .0140  .0118      0  .0013      0
F3   .0023 .1644 .4713  .0127  .0111  .0100 -.0012 -.0010  .0000
F5   .1875 .1382 .1822  .0087  .0088  .0134  .0002 -.0001 -.0030
F6   .3185 .1367 .8209  .0095  .0095  .0154  .0041   .003 -.0045
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 9
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