data_global _chemical_name_mineral 'Hornblende' loop_ _publ_author_name 'Oberti R' 'Hawthorne F C' 'Ungaretti L' 'Cannillo E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 867 _journal_page_last 878 _publ_section_title ; [6]Al disorder in amphiboles from mantle peridotites Sample: F7 ; _database_code_amcsd 0005451 _chemical_formula_sum 'Si6.368 Al2.242 Mg3.9 Fe.55 Ti.04 Cr.06 Ca1.84 Na.68 K.037 H2 O24' _cell_length_a 9.866 _cell_length_b 17.994 _cell_length_c 5.291 _cell_angle_alpha 90 _cell_angle_beta 105.24 _cell_angle_gamma 90 _cell_volume 906.273 _exptl_crystal_density_diffrn 3.103 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 SiT1 0.28070 0.08520 0.30230 0.79600 0.00532 AlT1 0.28070 0.08520 0.30230 0.20400 0.00532 SiT2 0.29070 0.17290 0.81230 0.79600 0.00583 AlT2 0.29070 0.17290 0.81230 0.20400 0.00583 MgM1 0.00000 0.08890 0.50000 0.92000 0.00646 FeM1 0.00000 0.08890 0.50000 0.08000 0.00646 TiM2 0.00000 0.17610 0.00000 0.02000 0.00608 CrM2 0.00000 0.17610 0.00000 0.03000 0.00608 AlM2 0.00000 0.17610 0.00000 0.20000 0.00608 FeM2 0.00000 0.17610 0.00000 0.10000 0.00608 MgM2 0.00000 0.17610 0.00000 0.65000 0.00608 AlM3 0.00000 0.00000 0.00000 0.21000 0.00583 MgM3 0.00000 0.00000 0.00000 0.72000 0.00583 FeM3 0.00000 0.00000 0.00000 0.07000 0.00583 FeM4 0.00000 0.27960 0.50000 0.03000 0.00899 MgM4 0.00000 0.27960 0.50000 0.01000 0.00899 CaM4 0.00000 0.27960 0.50000 0.46000 0.00899 FeM4* 0.00000 0.25450 0.50000 0.03000 0.00722 MgM4* 0.00000 0.25450 0.50000 0.01000 0.00722 CaM4* 0.00000 0.25450 0.50000 0.46000 0.00722 NaA 0.00000 0.50000 0.00000 0.13600 0.03964 KA 0.00000 0.50000 0.00000 0.00700 0.03964 NaA(m) 0.02200 0.50000 0.07660 0.13600 0.03230 KA(m) 0.02200 0.50000 0.07660 0.00800 0.03230 NaA(2) 0.00000 0.46940 0.00000 0.13600 0.02672 KA(2) 0.00000 0.46940 0.00000 0.00700 0.02672 H 0.19730 0.00000 0.76250 1.00000 0.02812 O1 0.10710 0.08740 0.21590 1.00000 0.01001 O2 0.11940 0.17320 0.73240 1.00000 0.00836 O-h3 0.10810 0.00000 0.71810 1.00000 0.01013 O4 0.36730 0.24990 0.78760 1.00000 0.01077 O5 0.34960 0.14050 0.11260 1.00000 0.01127 O6 0.34350 0.11600 0.60980 1.00000 0.01241 O7 0.34000 0.00000 0.27390 1.00000 0.01431