American Mineralogist Crystal Structure Database

1 matching records for this search.

Bobierrite
Download hom/bobierrite.pdf
Takagi S, Mathew M, Brown W E
Download am/vol71/AM71_1229.pdf
American Mineralogist 71 (1986) 1229-1233
Crystal structures of bobierrite and synthetic Mg3(PO4)2(H2O)8
_database_code_amcsd 0001048
4.667 27.926 10.067 90 105.01 90 C2/c
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0 .87840    .25  .0098  .0124  .0044      0 -.0026      0
Mg2      0 .06681    .25  .0104  .0113  .0054      0 -.0019      0
Mg3      0 .17283    .25  .0118  .0098  .0070      0 -.0017      0
P    .3861 .11913 .06483  .0074  .0111  .0026  .0002 -.0025 -.0001
O1   .3715 .11974 -.0916  .0099  .0162  .0054 -.0001 -.0008  .0012
O2   .7142 .11951  .1452  .0077  .0148  .0062 -.0013 -.0037 -.0011
O3   .2291 .16505  .0958  .0118  .0125  .0074  .0006 -.0009 -.0006
O4   .2312 .07345  .0958  .0101  .0111  .0087 -.0007 -.0004 -.0003
OW1  .3191 .32540  .3571  .0151  .0179  .0090 -.0004 -.0006 -.0009
OW2  .3088 .43350  .3473  .0123  .0184  .0071 -.0012 -.0022  .0000
OW3  .2857 .22389  .3534  .0181  .0136  .0302 -.0016 -.0010 -.0071
OW4  .2800 .01297  .3507  .0149  .0154  .0199 -.0023 -.0004  .0028
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