data_global _chemical_name_mineral 'Hydroxylclinohumite' loop_ _publ_author_name 'Kocman V' 'Rucklidge J C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 12 _journal_year 1973 _journal_page_first 39 _journal_page_last 45 _publ_section_title ; The crystal structure of a titaniferous clinohumite ; _database_code_amcsd 0005091 _chemical_formula_sum 'Mg7.23 Fe1.51 Ti.26 Si4 O17.6 F.4 H1.08' _cell_length_a 4.753 _cell_length_b 10.269 _cell_length_c 13.724 _cell_angle_alpha 100.90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 657.764 _exptl_crystal_density_diffrn 3.409 _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 MgM1A 0.50000 0.00000 0.50000 0.80600 FeM1A 0.50000 0.00000 0.50000 0.19400 MgM1B 0.00294 0.44596 0.27424 0.80300 FeM1B 0.00294 0.44596 0.27424 0.19700 MgM25 0.01258 0.13989 0.16997 0.84000 FeM25 0.01258 0.13989 0.16997 0.16000 MgM26 0.98872 0.75089 0.38792 0.75900 FeM26 0.98872 0.75089 0.38792 0.24100 MgM3 0.00599 0.38156 0.04182 0.81000 TiM3 0.00599 0.38156 0.04182 0.13000 FeM3 0.00599 0.38156 0.04182 0.06000 Si1 0.42699 0.56673 0.38952 1.00000 Si2 0.57563 0.32317 0.16460 1.00000 O11 0.76733 0.56471 0.38786 1.00000 O12 0.28089 0.42086 0.38774 1.00000 O13 0.27872 0.61312 0.29395 1.00000 O14 0.27941 0.65899 0.48633 1.00000 O21 0.23539 0.32279 0.16273 1.00000 O22 0.72116 0.46805 0.16273 1.00000 O23 0.72219 0.27913 0.26181 1.00000 O24 0.72579 0.22776 0.06969 1.00000 O-H 0.24213 0.54469 0.05394 0.54000 O 0.24213 0.54469 0.05394 0.26000 F 0.24213 0.54469 0.05394 0.20000 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 MgM1A 0.00449 0.00984 0.00469 0.00000 0.00000 0.00303 FeM1A 0.00449 0.00984 0.00469 0.00000 0.00000 0.00303 MgM1B 0.00520 0.00840 0.00377 -0.00022 -0.00039 0.00103 FeM1B 0.00520 0.00840 0.00377 -0.00022 -0.00039 0.00103 MgM25 0.00583 0.00695 0.00515 0.00022 -0.00010 0.00227 FeM25 0.00583 0.00695 0.00515 0.00022 -0.00010 0.00227 MgM26 0.00647 0.00695 0.00497 0.00022 0.00019 0.00200 FeM26 0.00647 0.00695 0.00497 0.00022 0.00019 0.00200 MgM3 0.00409 0.01035 0.00313 -0.00155 0.00091 -0.00076 TiM3 0.00409 0.01035 0.00313 -0.00155 0.00091 -0.00076 FeM3 0.00409 0.01035 0.00313 -0.00155 0.00091 -0.00076 Si1 0.00182 0.00531 0.00202 0.00010 -0.00016 0.00151 Si2 0.00200 0.00489 0.00202 0.00015 0.00023 0.00131 O11 0.00493 0.00943 0.00534 -0.00007 -0.00075 0.00227 O12 0.00690 0.00546 0.00736 -0.00058 -0.00097 0.00165 O13 0.00593 0.01102 0.00616 -0.00039 -0.00026 0.00372 O14 0.00556 0.00814 0.00736 0.00095 0.00055 0.00007 O21 0.00470 0.00917 0.00653 -0.00024 -0.00010 0.00344 O22 0.00775 0.00840 0.00616 -0.00083 -0.00084 0.00234 O23 0.00672 0.01133 0.00580 0.00075 0.00065 0.00406 O24 0.00745 0.00922 0.00672 -0.00034 0.00133 0.00021 O-H 0.00613 0.01066 0.00708 -0.00061 -0.00295 0.00014 O 0.00613 0.01066 0.00708 -0.00061 -0.00295 0.00014 F 0.00613 0.01066 0.00708 -0.00061 -0.00295 0.00014