Calcite
Maslen E N, Streltsov V A, Streltsova N R
Acta Crystallographica B49 (1993) 636-641
X-ray study of the electron density in calcite, CaCO3
_database_code_amcsd 0009873
4.991 4.991 17.062 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 .01024 .01024  .0098 .00512      0      0
C        0 0 .25  .0091  .0091  .0106 .00455      0      0
O    .2573 0 .25  .0115  .0222  .0195  .0111 -.0040 -.0080