data_global _chemical_name_mineral 'Hydroxylclinohumite' loop_ _publ_author_name 'Berry A J' 'James M' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 181 _journal_page_last 184 _publ_section_title ; Refinement of hydrogen positions in synthetic hydroxyl-clinohumite by powder neutron diffraction ; _database_code_amcsd 0002626 _chemical_formula_sum 'Mg9 Si4 O18 D2' _cell_length_a 4.7488 _cell_length_b 10.2875 _cell_length_c 13.6967 _cell_angle_alpha 100.63 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 657.646 _exptl_crystal_density_diffrn 3.147 _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 Mg1 0.50000 0.00000 0.50000 1.00000 0.00633 Mg2 0.49500 0.94800 0.27350 1.00000 0.00887 Mg3 0.00300 0.14400 0.17110 1.00000 0.00633 Mg4 0.50400 0.25230 0.38720 1.00000 0.01140 Mg5 0.49200 0.87700 0.04430 1.00000 0.01013 Si1 0.07300 0.06660 0.38970 1.00000 0.01267 Si2 0.07800 0.17390 0.83410 1.00000 0.01520 O1 0.73300 0.06470 0.38920 1.00000 0.01267 O2 0.27700 0.42000 0.38810 1.00000 0.01140 O3 0.22400 0.11200 0.29320 1.00000 0.00760 O4 0.22400 0.15750 0.48690 1.00000 0.01013 O5 0.23800 0.32400 0.16380 1.00000 0.00507 O6 0.77500 0.97030 0.16440 1.00000 0.00887 O7 0.72500 0.28250 0.26370 1.00000 0.00887 O8 0.72800 0.22940 0.07150 1.00000 0.01013 O9 0.26100 0.05290 0.05960 1.00000 0.01900 D1 0.09800 0.01700 0.00800 0.52000 0.03800 D2 0.41800 0.08800 0.11500 0.48000 0.03800