Blount A M
American Mineralogist 59 (1974) 41-47
The crystal structure of crandallite
_database_code_amcsd 0000392
7.005 7.005 16.192 90 90 120 R-3m
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .0440 0 0 .167 .0060 .0167 .00030 .0083 .00003 .00007
P 0 0 .3137 .0040 .0040 .00045 .0020 0 0
Al .5 0 .5 .0028 .0023 .00050 .0012 .00005 0
O1 0 0 .4076 .0061 .0061 .00080 .0031 0 0
O2 .2142 -.2142 .9471 .0095 .0095 .00060 .0078 .00003 -.00003
O3 .1237 -.1237 .1353 .0036 .0036 .00060 .0019 .00010 -.00010
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