data_global _chemical_name_mineral 'Forsterite' loop_ _publ_author_name 'Heinemann R' 'Kroll H' 'Kirfel A' 'Barbier B' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 673 _journal_page_last 689 _publ_section_title ; Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 907 C ; _database_code_amcsd 0007179 _chemical_compound_source 'Boseti volcano, Ethiopia' _chemical_formula_sum '(Fe.935 Mg1.065) Si O4' _cell_length_a 4.8358 _cell_length_b 10.4636 _cell_length_c 6.1176 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 309.550 _exptl_crystal_density_diffrn 3.652 _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 FeM1 0.00000 0.00000 0.00000 0.51820 MgM1 0.00000 0.00000 0.00000 0.48180 FeM2 0.98907 0.28025 0.25000 0.41690 MgM2 0.98907 0.28025 0.25000 0.58310 Si 0.42865 0.09598 0.25000 1.00000 O1 0.76320 0.09280 0.25000 1.00000 O2 0.21510 0.45220 0.25000 1.00000 O3 0.28610 0.16380 0.03740 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 FeM1 0.02250 0.03880 0.02480 -0.00040 -0.00280 -0.00530 MgM1 0.02250 0.03880 0.02480 -0.00040 -0.00280 -0.00530 FeM2 0.02940 0.02180 0.02660 0.00060 0.00000 0.00000 MgM2 0.02940 0.02180 0.02660 0.00060 0.00000 0.00000 Si 0.01380 0.01940 0.02000 0.00050 0.00000 0.00000 O1 0.01600 0.03200 0.02590 0.00030 0.00000 0.00000 O2 0.02380 0.01840 0.02860 0.00040 0.00000 0.00000 O3 0.02450 0.03120 0.02480 0.00160 -0.00090 0.00780