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 = 540 C
Note: P = 101 kPa
_database_code_amcsd 0017861
4.9771 4.9771 17.3369 90 90 120 R-3c
atom      x y   z  Uiso
Ca        0 0   0 .0348
C         0 0 .25 .0577
O1    .2516 0 .25 .0577