American Mineralogist Crystal Structure Database

1 matching records for this search.

Ca5(PO4)3Br
 
Elliott J C, Dykes E, Mackie P E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=435
Acta Crystallographica B37 (1981) 435-438
Structure of bromapatite and the radius of the bromide ion
_database_code_amcsd 0009730
9.761 9.761 6.739 90 90 120 P6_3/m
atom     x     y     z   occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1    1/3   2/3 .0045 .9861  .0029  .0029  .0026  .0015      0      0
Ca2  .2672 .0121   .25 .9834  .0022  .0032  .0032  .0012      0      0
P    .4124 .3785   .25 .9654  .0016  .0015  .0023  .0009      0      0
O1   .3533 .4972   .25 .9954  .0055  .0039  .0047  .0037      0      0
O2   .5954 .4642   .25 .9928  .0020  .0022  .0062  .0007      0      0
O3   .3572 .2713 .0662        .0057  .0032  .0050  .0025 -.0024 -.0016
Br1      0     0     0 .9522  .0032  .0032  .0079  .0016      0      0
Br2      0     0 .1032 .0300  .0032  .0032  .0079  .0016      0      0
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