American Mineralogist Crystal Structure Database

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Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 184 K
Locality: natural, unknown locality
_database_code_amcsd 0018848
4.9541 7.9494 5.7186 90 90 90 Pmcn
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .4151  .7599 .997 .013   .019   .014   .007      0      0 -.0003
Sr     .25 .4151  .7599 .003 .013   .019   .014   .007      0      0 -.0003
C      .25  .763  -.089      .015   .020   .025   .000      0      0  -.001
O1     .25 .9244 -.0961      .015   .027   .007   .011      0      0  -.001
O2   .4752 .6804 -.0875      .014   .018   .013   .010   .005   .002   .000
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