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 = 3.87 GPa, Neutron ; _database_code_amcsd 0002865 _chemical_formula_sum 'Mg5 Si2 O8.9 F1.1 D.9' _cell_length_a 4.6939 _cell_length_b 10.1458 _cell_length_c 7.7722 _cell_angle_alpha 108.98 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 350.015 _exptl_crystal_density_diffrn 3.253 _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 1.00000 0.00130 MgM2 0.01100 0.17460 0.30500 1.00000 0.00130 MgM3 0.49300 0.88580 0.07860 1.00000 0.00130 Si 0.07690 0.14070 0.70400 1.00000 0.00300 O1 0.77100 0.00220 0.29500 1.00000 0.00520 O2 0.73100 0.24130 0.12400 1.00000 0.00520 O3 0.22700 0.16850 0.52780 1.00000 0.00520 O4 0.26760 0.85650 0.29700 1.00000 0.00520 O5 0.26200 0.05900 0.10300 0.45000 0.00600 F5 0.26200 0.05900 0.10300 0.55000 0.00600 D 0.09900 0.02100 0.02400 0.45000 0.03100