American Mineralogist Crystal Structure Database

1 matching records for this search.

Vaterite
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Mugnaioli E, Andrusenko I, Schuler T, Loges N, Dinnebier R E, Panthofer M,
Tremel W, Kolb U
 
Angewandte Chemie 124 (2012) 1-6
Ab-initio-Strukturbestimmung von Vaterit mit automatischer Beugungstomographie
Locality: synthetic
_database_code_amcsd 0019138
12.170 7.120 9.470 90 118.37 90 C2/c
atom     x     y     z Uiso
Ca1    .25   .25     0 .051
Ca2  .0793 .2631 .5033 .036
C1   .1837  .392  .262 .048
C2       0  .947   .25 .046
O1    .092  .434  .132 .094
O2    .200  .443  .399 .101
O3    .057  .859 .3831 .101
O4    .274  .292  .265 .069
O5       0  .129   .25 .071
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