American Mineralogist Crystal Structure Database

2 matching records for this search.

Fluorophlogopite
 
McCauley J W, Newnham R E, Gibbs G V
Download am/vol58/AM58_249.pdf
American Mineralogist 58 (1973) 249-254
Crystal structure analysis of synthetic fluorophlogopite
_database_code_amcsd 0000311
5.308 9.183 10.139 90 100.07 90 C2/m
atom     x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
K        0     0     0      .0269  .0075  .0052       0  .0016      0
Mg1      0    .5    .5      .0073  .0011  .0005   .0001  .0001      0
Mg2      0 .8306    .5      .0056  .0021  .0014       0  .0012      0
Al   .5751 .1663 .2245 .25  .0070  .0018  .0023  .00001  .0006  .0002
Si   .5751 .1663 .2245 .75  .0070  .0018  .0023  .00001  .0006  .0002
O1   .8208 .2347 .1682      .0116  .0076  .0022 -.00036 .00001 -.0010
O2   .5274     0 .1678      .0174  .0039  .0021       0 -.0001      0
O3   .6291 .1661 .3896      .0062  .0018  .0014   .0008  .0009 -.0002
F1   .1327     0 .4017      .0068  .0021  .0032       0  .0010      0
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Nierite
Download hom/nierite.pdf
Kohatsu I, McCauley J W
 
Materials Research Bulletin 9 (1974) 917-920
Re-examination of the crystal structure of alpha-Si3N4
Locality: synthetic
_database_code_amcsd 0014238
7.766 7.766 5.615 90 90 120 P31c
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Si1  .5130 .4305  .658 .96  .0080  .0058  .0081  .0032  .0014  .00059
Si2  .1680 .9150 .4504 .99  .0080  .0071  .0064  .0038  .0038 -.00047
N1   .6124 .9592 .4343      .0018  .0043  .0241 -.0003  .0028   .0067
N2   .3199 .0046 .7045      .0016  .0014  .0213 -.0017  .0026   .0012
N3     2/3   1/3 .6015      .0024  .0024  .0074  .0012      0       0
N4       0     0 .4520 .98  .0064  .0064  .0179  .0032      0       0
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View JMOL 3-D Structure
 
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