American Mineralogist Crystal Structure Database

1 matching records for this search.

Celsian
Download hom/celsian.pdf
Griffen D T, Ribbe P H
Download am/vol61/AM61_414.pdf
American Mineralogist 61 (1976) 414-418
Refinement of the crystal structure of celsian
_database_code_amcsd 0000519
8.622 13.078 14.411 90 115.1 90 I2/c
atom     x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .2827      0  .0653      .0028  .0014  .0019 -.0001  .0007 -.0001
Al1  .0096  .1820  .1103  .5  .0028  .0009  .0012 -.0001  .0008 -.0001
Si1  .0096  .1820  .1103  .5  .0028  .0009  .0012 -.0001  .0008 -.0001
Al2  .0076  .1830  .6148  .5  .0013  .0007  .0008 -.0004  .0002  .0000
Si2  .0076  .1830  .6148  .5  .0013  .0007  .0008 -.0004  .0002  .0000
Al3  .7054  .1214  .1730  .5  .0022  .0004  .0009  .0003  .0005  .0001
Si3  .7054  .1214  .1730  .5  .0022  .0004  .0009  .0003  .0005  .0001
Al4  .7019  .1163  .6743  .5  .0016  .0007  .0010 -.0001  .0004  .0001
Si4  .7019  .1163  .6743  .5  .0016  .0007  .0010 -.0001  .0004  .0001
O1   .0005  .1377 -.0002      .0047  .0005  .0008 -.0005  .0006  .0000
O2   .6206 -.0003  .1438      .0031  .0002  .0022  .0008  .0005  .0004
O3   .8349  .1368  .1119      .0064  .0015  .0027 -.0011  .0022 -.0002
O4   .8198  .1370  .6136      .0039  .0009  .0016  .0004  .0004 -.0001
O5   .0220  .3062  .1210      .0055  .0009  .0022 -.0003  .0012  .0001
O6   .0293  .3120  .6312      .0024  .0019  .0022 -.0001  .0016  .0004
O7   .1836  .1296  .1958      .0038  .0019  .0017 -.0002  .0006 -.0003
O8   .1900  .1231  .7017      .0041  .0022  .0016  .0008  .0012  .0003
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