Nacrite
Zhukhlistov A P
Crystallography Reports 53 (2008) 76-82
Crystal structure of nacrite from the electron diffraction data
_database_code_amcsd 0012394
8.910 5.144 14.593 90 100.50 90 Cc
atom     x      y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1  .3275 -.0703 -.0002  .0021  .0048  .0009 -.0005  .0001  .0002
Al2  .1628  .4245  .0004  .0020  .0047  .0008 -.0003  .0001  .0004
Si1  .0632  .2796  .1897  .0020  .0046  .0010 -.0008  .0007 -.0002
Si2  .2342 -.2344  .1907  .0021  .0066  .0008 -.0004  .0004  .0001
O1   .1349  .0011  .2215  .0026  .0064  .0015 -.0001  .0012 -.0003
O2   .1809  .5027  .2362  .0024  .0064  .0010  .0008  .0002 -.0006
O3   .4119 -.1925  .2371  .0030  .0076  .0015  .0018  .0010  .0001
O4   .0214  .3111  .0788  .0028  .0065  .0010 -.0021  .0007 -.0003
O5   .2143 -.2620  .0794  .0028  .0082  .0009  .0014  .0005  .0014
Oh1  .3271  .2379  .0748  .0026  .0061  .0011  .0001  .0010  .0005
Oh2  .1640  .1153 -.0660  .0033  .0079  .0014 -.0013  .0009 -.0013
Oh3  .2853 -.3793 -.0650  .0022  .0070  .0012  .0005  .0007 -.0002
Oh4  .4772  .0432 -.0651  .0028  .0090  .0014  .0003  .0009  .0000
H1    .426   .318   .096  .0126  .0293  .0044  .0045  .0048  .0069
H2    .599   .410   .378  .0099  .0330  .0042 -.0094 -.0004  .0041
H3    .300   .346   .380  .0092  .0285  .0033  .0088  .0022 -.0038
H4    .499  -.114   .380  .0090  .0279  .0040  .0121  .0050  .0024