data_global _chemical_name_mineral 'Chondrodite' loop_ _publ_author_name 'Friedrich A' 'Lager G A' 'Ulmer P' 'Kunz M' 'Marshall W G' _journal_name_full 'American Mineralogist' _journal_volume 87 _journal_year 2002 _journal_page_first 931 _journal_page_last 939 _publ_section_title ; High-pressure single-crystal X-ray and powder neutron study of F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding Sample: P = 9.550 GPa, X-ray ; _database_code_amcsd 0002862 _chemical_formula_sum 'Mg4.9 Fe.1 Si2 O8.84 (F1.16 H.84)' _cell_length_a 4.65459 _cell_length_b 10.0033 _cell_length_c 7.6828 _cell_angle_alpha 108.939 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 338.355 _exptl_crystal_density_diffrn 3.388 _symmetry_space_group_name_H-M 'P 21/b 1 1' loop_ _space_group_symop_operation_xyz 'x,y,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 _atom_site_U_iso_or_equiv MgM1 0.50000 0.00000 0.50000 0.90000 0.01000 FeM1 0.50000 0.00000 0.50000 0.10000 0.01000 MgM2 0.01060 0.17480 0.30540 1.00000 0.00900 MgM3 0.49240 0.88850 0.08000 1.00000 0.01000 Si 0.07540 0.14440 0.70380 1.00000 0.01000 O1 0.77800 0.00100 0.29600 1.00000 0.01400 O2 0.73060 0.23900 0.12300 1.00000 0.01000 O3 0.22800 0.16900 0.52600 1.00000 0.01300 O4 0.26940 0.85300 0.29500 1.00000 0.01300 O-H5 0.25810 0.05600 0.09830 0.42000 0.01500 F5 0.25810 0.05600 0.09830 0.58000 0.01500