Calcite
Sitepu H
Powder Diffraction 24 (2009) 315-326
Texture and structural refinement using neutron diffraction data from
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy
Note: Generalized spherical-harmonic model
Locality: synthetic
_database_code_amcsd 0018895
4.99026 4.99026 17.0684 90 90 120 R-3c
atom      x y   z U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca        0 0   0  .0182  .0182  .0165  .0091       0       0
C         0 0 .25  .0143  .0143  .0171 .00715       0       0
O    .25644 0 .25  .0190  .0265  .0258 .01325 -.00412 -.00824