data_global _chemical_name_mineral 'Monticellite' loop_ _publ_author_name 'Sharp Z D' 'Hazen R M' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 748 _journal_page_last 755 _publ_section_title ; High-pressure crystal chemistry of monticellite, CaMgSiO4 Sample: P = 53.0 kbar ; _database_code_amcsd 0001102 _chemical_formula_sum 'Mg Ca Si O4' _cell_length_a 4.770 _cell_length_b 10.882 _cell_length_c 6.305 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 327.275 _exptl_crystal_density_diffrn 3.176 _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_U_iso_or_equiv Mg 0.00000 0.00000 0.00000 0.01343 Ca 0.97440 0.27540 0.25000 0.01292 Si 0.41170 0.08070 0.25000 0.01115 O1 0.74730 0.07700 0.25000 0.01672 O2 0.24740 0.44560 0.25000 0.01482 O3 0.27230 0.14720 0.04490 0.01165