American Mineralogist Crystal Structure Database

3 matching records for this search.

Vergasovaite
Download hom/vergasovaite.pdf
Berlepsch P, Armbruster T, Brugger J, Bykova E Y, Kartashov P M
 
European Journal of Mineralogy 11 (1999) 101-110
The crystal structure of vergasovaite Cu3O[(Mo,S)O4SO4],
and its relation to synthetic Cu3O[MoO4]2
_database_code_amcsd 0006764
7.421 6.754 13.624 90 90 90 Pnma
atom      x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1       0      0    1/2      1.62  .0129  .0161  .0195 -.0006 -.0006 -.0013
Cu2   .8367   -1/4 .34104      2.27  .0320  .0219  .0142      0 -.0023      0
Cu3   .6731   -1/4 .55569      2.29  .0212  .0199  .0276      0  .0096      0
Mo1  .74740    1/4 .31217 .742 1.53  .0130  .0157  .0172      0 -.0005      0
S1   .74740    1/4 .31217 .258 1.53  .0130  .0157  .0172      0 -.0005      0
S2    .3355   -1/4  .3980      1.97  .0176  .0208  .0206      0  .0019      0
O1    .8920   -1/4  .4794      1.48   .016   .016   .013      0   .004      0
O2    .7738   -1/4  .2033       4.4   .075   .035   .023      0   .000      0
O3    .5336   -1/4  .4075       4.0   .019   .037   .063      0   .014      0
O4    .2625 -.0727  .4470      2.63   .021   .030   .028  -.004   .002   .001
O5    .8665  .0405  .3466      2.62   .028   .026   .025   .003  -.001  -.007
O6    .7031    1/4  .1915       3.7   .036   .027   .049      0  -.006      0
O7    .5456    1/4  .3738       3.4   .029   .038   .037      0   .014      0
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View JMOL 3-D Structure (permalink)
 
Boron
 
Parakhonskiy G, Dubrovinskaia N, Bykova E, Wirth R, Dubrovinsky L
 
High Pressure Research 33 (2013) 673-683
High pressure synthesis and investigation of single crystals
of metastable boron phases
Note: alpha-tetragonal phase
Locality: Synthetic
_database_code_amcsd 0020599
8.708 8.708 5.0750 90 90 90 P4_2/nnm
atom     x     y     z
B1       0     0    .5
B2   .1239 .1239 .3685
B3   .2458 .2458 .5897
B4   .3161 .1042 .3907
B5   .2288 .0827 .0819
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boron
 
Parakhonskiy G, Dubrovinskaia N, Bykova E, Wirth R, Dubrovinsky L
 
High Pressure Research 33 (2013) 673-683
High pressure synthesis and investigation of single crystals
of metastable boron phases
Note: epsilon-trigonal phase
Locality: Synthetic
_database_code_amcsd 0020600
5.5940 5.5940 12.0756 90 90 120 R-3m
atom     x     y     z Uiso
B1       0     0    .5 .011
B2   .1626 .8374 .6413 .007
B3   .2255 .7745 .7805 .008
B4       0     0 .6192 .003
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: 3
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