American Mineralogist Crystal Structure Database

2 matching records for this search.

Boralsilite
 
Grew E S, Graetsch H A, Poter B, Yates M G, Buick I, Bernhardt H-J, Schreyer W,
Werding G, Carson C J, Clarke G L
 
American Mineralogist 93 (2008) 283-299
Boralsilite, Al16B6Si2O37, and "boron-mullite:" compositional variations and
associated phases in experiment and nature
Locality: synthetic
Sample: run W2
_database_code_amcsd 0004524
14.797 5.5800 15.095 90 91.750 90 C2/m
atom    x    y    z occ Uiso
Al1  .868    0 .343     .030
Al2  .814    0 .160     .024
Al3  .574    0 .074     .021
Al4  .676    0 .339     .012
Al5  .004 .255 .246     .019
Al6   .75  .25    0     .017
Al7   .75  .25   .5     .010
Si   .424    0 .419 .86 .007
B    .424    0 .419 .14 .007
B1   .096    0 .098     .007
B2   .379    0 .118 .88 .007
Si2  .379    0 .118 .12 .007
B3   .138    0 .360     .007
O1   .764    0 .269     .010
O2   .798    0 .440     .010
O3   .919    0 .218     .010
O4   .936 .739 .357     .010
O5      0   .5   .5     .010
O6   .325    0 .457     .010
O7   .322 .214 .106     .010
O8   .702    0 .074     .010
O9   .068 .214 .134     .010
O10  .452    0 .048     .010
O11  .166 .214 .397     .010
O12  .578    0 .280     .010
O13  .421    0 .204     .010
O14  .069    0 .296     .010
O15  .167    0 .041     .010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
NaBSiO4
 
Graetsch H A, Schreyer W
Download cm/vol43/CM43_759.pdf
The Canadian Mineralogist 43 (2005) 759-767
Rietveld refinement of synthetic monoclinic NaBSiO4
_database_code_amcsd 0006017
7.9845 7.6969 13.9432 90 90.081 90 P2_1/n
atom      x     y      z
Na1    .245  .010   .250
Na2    .734  .470  .0802
Na3    .775  .032  .0662
B1   -.0774 .1677  .2383
B2    .1017 .6707  .0807
B3    .5655 .8287 -.0899
Si1   .9212 .7885  .2376
Si2   .1074 .2923  .0796
Si3   .4320 .7927  .0921
O1    .0652  .766  .3187
O2    .0573  .265  .1911
O3    .2378  .773  .1241
O4    .7400  .747  .2844
O5   -.0513  .249  .0108
O6     .452  .744 -.0206
O7    .9579  .664  .1466
O8    .2633  .169  .0509
O9     .550  .669  .1572
O10    .924 .9885  .2015
O11    .163 .4930  .0639
O12   .4899 .9922  .1093
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 2
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