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: March model
Locality: synthetic
_database_code_amcsd 0018896
4.99029 4.99029 17.0687 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  .0174  .0174  .0210  .0087       0       0
C         0 0 .25  .0132  .0132  .0175  .0066       0       0
O    .25667 0 .25  .0172  .0225  .0273 .01125 -.00342 -.00684