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: F8 ; _database_code_amcsd 0005452 _chemical_formula_sum 'Si6.312 Al2.318 Mg3.88 Fe.53 Ti.04 Cr.04 Ca1.84 Na.7 K.04 H2 O24' _cell_length_a 9.861 _cell_length_b 17.959 _cell_length_c 5.289 _cell_angle_alpha 90 _cell_angle_beta 105.32 _cell_angle_gamma 90 _cell_volume 903.365 _exptl_crystal_density_diffrn 3.107 _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 0.78900 0.00659 AlT1 0.28070 0.08520 0.30230 0.21100 0.00659 SiT2 0.29080 0.17300 0.81270 0.78900 0.00697 AlT2 0.29080 0.17300 0.81270 0.21100 0.00697 MgM1 0.00000 0.08900 0.50000 0.92000 0.00798 FeM1 0.00000 0.08900 0.50000 0.06000 0.00798 TiM2 0.00000 0.17620 0.00000 0.02000 0.00722 CrM2 0.00000 0.17620 0.00000 0.02000 0.00722 AlM2 0.00000 0.17620 0.00000 0.21000 0.00722 FeM2 0.00000 0.17620 0.00000 0.11000 0.00722 MgM2 0.00000 0.17620 0.00000 0.64000 0.00722 AlM3 0.00000 0.00000 0.00000 0.21000 0.00697 MgM3 0.00000 0.00000 0.00000 0.72000 0.00697 FeM3 0.00000 0.00000 0.00000 0.07000 0.00697 FeM4 0.00000 0.27990 0.50000 0.03000 0.00988 MgM4 0.00000 0.27990 0.50000 0.01000 0.00988 CaM4 0.00000 0.27990 0.50000 0.46000 0.00988 FeM4* 0.00000 0.25340 0.50000 0.03000 0.00925 MgM4* 0.00000 0.25340 0.50000 0.01000 0.00925 CaM4* 0.00000 0.25340 0.50000 0.46000 0.00925 NaA 0.00000 0.50000 0.00000 0.14000 0.04610 KA 0.00000 0.50000 0.00000 0.00800 0.04610 NaA(m) 0.01390 0.50000 0.05860 0.14000 0.04078 KA(m) 0.01390 0.50000 0.05860 0.00800 0.04078 NaA(2) 0.00000 0.46640 0.00000 0.14000 0.02204 KA(2) 0.00000 0.46640 0.00000 0.00800 0.02204 H 0.20300 0.00000 0.72770 1.00000 0.07903 O1 0.10680 0.08730 0.21560 1.00000 0.01127 O2 0.11960 0.17340 0.73240 1.00000 0.00937 O-h3 0.10820 0.00000 0.71820 1.00000 0.01089 O4 0.36700 0.25000 0.78700 1.00000 0.01203 O5 0.34950 0.14070 0.11360 1.00000 0.01216 O6 0.34370 0.11600 0.61120 1.00000 0.01381 O7 0.33980 0.00000 0.27300 1.00000 0.01545