data_global _chemical_name_mineral 'Monticellite' loop_ _publ_author_name 'Kimata M' 'Nishida N' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1987 _journal_year 1987 _journal_page_first 160 _journal_page_last 170 _publ_section_title ; The crystal structure of Co-monticellite Ca1.255Co0.745SiO4 and its significance as a solid solution crystal Note: sample is synthetic ; _database_code_amcsd 0014814 _chemical_formula_sum 'Ca1.255 Co.745 Si O4' _cell_length_a 4.866 _cell_length_b 11.150 _cell_length_c 6.453 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 350.113 _exptl_crystal_density_diffrn 3.534 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.00000 0.00000 0.00000 0.25500 Co1 0.00000 0.00000 0.00000 0.74500 Ca2 0.97936 0.27692 0.25000 1.00000 Si 0.41477 0.08390 0.25000 1.00000 O1 0.74771 0.08083 0.25000 1.00000 O2 0.23605 0.45087 0.25000 1.00000 O3 0.28073 0.15063 0.04801 1.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ca1 0.00849 0.00901 0.00850 -0.00044 0.00207 -0.00124 Co1 0.00849 0.00901 0.00850 -0.00044 0.00207 -0.00124 Ca2 0.01090 0.00756 0.00888 0.00055 0.00000 0.00000 Si 0.00794 0.00894 0.01002 0.00052 0.00000 0.00000 O1 0.00841 0.01323 0.01734 0.00019 0.00000 0.00000 O2 0.01150 0.00964 0.01656 -0.00203 0.00000 0.00000 O3 0.01381 0.01146 0.00962 0.00140 0.00183 0.00237