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 19 _journal_year 2007 _journal_page_first 15 _journal_page_last 27 _publ_section_title ; Order and anti-order in olivine III: variation of the cation distribution, in the Fe,Mg olivine solid solution series with temperature and composition Sample: CSR-2, T = 600 C ; _database_code_amcsd 0007191 _chemical_compound_source 'Saar-Nahe basin, Germany' _chemical_formula_sum 'Si (Mg1.56 Fe.44) O4' _cell_length_a 4.7967 _cell_length_b 10.3412 _cell_length_c 6.0543 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 300.315 _exptl_crystal_density_diffrn 3.419 _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 Si 0.42731 0.09497 0.25000 1.00000 MgM1 0.00000 0.00000 0.00000 0.76000 FeM1 0.00000 0.00000 0.00000 0.24000 MgM2 0.98987 0.27906 0.25000 0.80000 FeM2 0.98987 0.27906 0.25000 0.20000 O1 0.76432 0.09212 0.25000 1.00000 O2 0.21869 0.44963 0.25000 1.00000 O3 0.28200 0.16333 0.03556 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 Si 0.00960 0.01430 0.01280 0.00020 0.00000 0.00000 MgM1 0.01460 0.02530 0.01450 -0.00040 -0.00220 -0.00430 FeM1 0.01460 0.02530 0.01450 -0.00040 -0.00220 -0.00430 MgM2 0.01900 0.01570 0.01700 0.00050 0.00000 0.00000 FeM2 0.01900 0.01570 0.01700 0.00050 0.00000 0.00000 O1 0.01080 0.02190 0.01460 0.00010 0.00000 0.00000 O2 0.01550 0.01420 0.01660 -0.00040 0.00000 0.00000 O3 0.01470 0.02100 0.01640 0.00060 -0.00080 0.00490