Calcite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 420 C
Note: P = 101 kPa
_database_code_amcsd 0017855
4.9748 4.9748 17.270 90 90 120 R-3c
atom      x y   z  Uiso
Ca        0 0   0 .0173
C         0 0 .25  .050
O1     .260 0 .25  .050