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