data_global _chemical_name_mineral 'Forsterite' loop_ _publ_author_name 'Bostrom D' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 965 _journal_page_last 972 _publ_section_title ; Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = 0.00 ; _database_code_amcsd 0001118 _chemical_formula_sum 'Mg2 Si O4' _cell_length_a 4.749 _cell_length_b 10.1985 _cell_length_c 5.9792 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 289.589 _exptl_crystal_density_diffrn 3.227 _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 Mg1 0.00000 0.00000 0.00000 Mg2 0.99130 0.27730 0.25000 Si 0.42610 0.09400 0.25000 O1 0.76580 0.09190 0.25000 O2 0.22100 0.44700 0.25000 O3 0.27740 0.16300 0.03290 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 Mg1 0.01977 0.04110 0.02300 -0.00172 -0.00676 -0.01081 Mg2 0.06924 0.06270 0.06248 -0.00098 0.00000 0.00000 Si 0.03850 0.05480 0.04872 0.00098 0.00000 0.00000 O1 0.04536 0.07535 0.07064 -0.00196 0.00000 0.00000 O2 0.06056 0.05322 0.07317 0.00294 0.00000 0.00000 O3 0.05804 0.07798 0.06212 0.00712 0.00000 0.01637