data_global _chemical_name_mineral 'Monticellite' loop_ _publ_author_name 'Lager G A' 'Meagher E P' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 365 _journal_page_last 377 _publ_section_title ; High-temperature structural study of six olivines T = 795 deg C, sample is from Crestmore, California, USA ; _database_code_amcsd 0000649 _chemical_formula_sum '(Mg.93 Fe.07) Ca Si O4' _cell_length_a 4.857 _cell_length_b 11.199 _cell_length_c 6.454 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 351.056 _exptl_crystal_density_diffrn 3.002 _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 Mg 0.00000 0.00000 0.00000 0.93000 Fe 0.00000 0.00000 0.00000 0.07000 Ca 0.97530 0.27890 0.25000 1.00000 Si 0.40760 0.08290 0.25000 1.00000 O1 0.73980 0.07850 0.25000 1.00000 O2 0.24630 0.45210 0.25000 1.00000 O3 0.27290 0.14790 0.04770 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 Mg 0.01984 0.02605 0.02743 -0.00413 -0.00667 -0.00110 Fe 0.01984 0.02605 0.02743 -0.00413 -0.00667 -0.00110 Ca 0.02569 0.02033 0.02743 0.00193 0.00000 0.00000 Si 0.01279 0.01843 0.02279 -0.00083 0.00000 0.00000 O1 0.01637 0.03876 0.04600 0.00000 0.00000 0.00000 O2 0.01757 0.01906 0.03419 0.00028 0.00000 0.00000 O3 0.02773 0.02414 0.02849 0.00248 -0.00079 0.00586