Danburite
Phillips M W, Gibbs G V, Ribbe P H
American Mineralogist 59 (1974) 79-85
The crystal structure of danburite: A comparison with anorthite, albite, and
reedmergnerite
_database_code_amcsd 0000395
8.038 8.752 7.730 90 90 90 Pnam
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3854 .0765 .2500  .0018  .0012  .0018 -.0001  .0000  .0000
B1   .2590 .4192 .4201  .0012  .0009  .0016  .0000  .0000  .0000
Si2  .0533 .1924 .9442  .0010  .0007  .0011  .0000  .0000 -.0001
O1   .1930 .0680 .9968  .0023  .0013  .0029  .0004 -.0005 -.0004
O2   .1263 .3650 .9567  .0021  .0012  .0022 -.0003 -.0007 -.0001
O3   .3998 .3135 .0781  .0018  .0016  .0019  .0002  .0003  .0002
O4   .5136 .6636 .2500  .0028  .0023  .0014  .0005  .0000  .0000
O5   .1838 .4282 .2500  .0018  .0026  .0014  .0003  .0000  .0000