data_global _chemical_name_mineral 'Hydroxylclinohumite' loop_ _publ_author_name 'Robinson K' 'Gibbs G V' 'Ribbe P H' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 43 _journal_page_last 49 _publ_section_title ; The crystal structures of the humite minerals. IV. Clinohumite and titanoclinohumite ; _database_code_amcsd 0000302 _chemical_formula_sum '(Mg7.44 Fe1.09 Ti.47) Si4 O18 H2' _cell_length_a 4.7451 _cell_length_b 10.288 _cell_length_c 13.709 _cell_angle_alpha 101.00 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 656.945 _exptl_crystal_density_diffrn 3.370 _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 Mg1c 0.50000 0.00000 0.50000 0.86000 0.00633 Fe1c 0.50000 0.00000 0.50000 0.09000 0.00633 Ti1c 0.50000 0.00000 0.50000 0.05000 0.00633 Mg1n 0.49670 0.94610 0.27440 0.84000 0.00595 Fe1n 0.49670 0.94610 0.27440 0.10000 0.00595 Ti1n 0.49670 0.94610 0.27440 0.06000 0.00595 Mg25 0.01430 0.14030 0.16990 0.85000 0.00621 Fe25 0.01430 0.14030 0.16990 0.10000 0.00621 Ti25 0.01430 0.14030 0.16990 0.05000 0.00621 Mg26 0.51060 0.25080 0.38780 0.85000 0.00570 Fe26 0.51060 0.25080 0.38780 0.10000 0.00570 Ti26 0.51060 0.25080 0.38780 0.05000 0.00570 Mg3 0.49560 0.88370 0.04090 0.75000 0.00659 Fe3 0.49560 0.88370 0.04090 0.20000 0.00659 Ti3 0.49560 0.88370 0.04090 0.05000 0.00659 Si1 0.07270 0.06670 0.39000 1.00000 0.00329 Si2 0.07620 0.17640 0.83510 1.00000 0.00317 O11 0.73150 0.06500 0.38760 1.00000 0.00912 O12 0.28110 0.42070 0.38700 1.00000 0.00608 O13 0.22100 0.11300 0.29360 1.00000 0.00608 O14 0.21880 0.15940 0.48590 1.00000 0.00785 O21 0.23590 0.32300 0.16290 1.00000 0.00583 O22 0.77850 0.96800 0.16300 1.00000 0.00849 O23 0.72360 0.27930 0.26100 1.00000 0.00735 O34 0.72470 0.22940 0.06790 1.00000 0.00823 O-H 0.25650 0.04390 0.05400 1.00000 0.00811