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: F4 ; _database_code_amcsd 0005449 _chemical_formula_sum 'Si6.568 Al2.142 Mg3.7 Fe.59 Ti.04 Cr.04 Ca1.88 Na.586 K.336 H2 O24' _cell_length_a 9.860 _cell_length_b 17.984 _cell_length_c 5.290 _cell_angle_alpha 90 _cell_angle_beta 105.26 _cell_angle_gamma 90 _cell_volume 904.961 _exptl_crystal_density_diffrn 3.145 _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 0.30220 0.82100 0.00532 AlT1 0.28070 0.08520 0.30220 0.17900 0.00532 SiT2 0.29050 0.17290 0.81220 0.82100 0.00583 AlT2 0.29050 0.17290 0.81220 0.17900 0.00583 MgM1 0.00000 0.08890 0.50000 0.91000 0.00633 FeM1 0.00000 0.08890 0.50000 0.09000 0.00633 TiM2 0.00000 0.17620 0.00000 0.02000 0.00595 CrM2 0.00000 0.17620 0.00000 0.02000 0.00595 AlM2 0.00000 0.17620 0.00000 0.23000 0.00595 FeM2 0.00000 0.17620 0.00000 0.12000 0.00595 MgM2 0.00000 0.17620 0.00000 0.61000 0.00595 AlM3 0.00000 0.00000 0.00000 0.25000 0.00583 MgM3 0.00000 0.00000 0.00000 0.66000 0.00583 FeM3 0.00000 0.00000 0.00000 0.09000 0.00583 FeM4 0.00000 0.27980 0.50000 0.02000 0.00849 CaM4 0.00000 0.27980 0.50000 0.47000 0.00849 NaM4 0.00000 0.27980 0.50000 0.01000 0.00849 FeM4* 0.00000 0.25710 0.50000 0.02000 0.00874 CaM4* 0.00000 0.25710 0.50000 0.47000 0.00874 NaM4* 0.00000 0.25710 0.50000 0.01000 0.00874 NaA 0.00000 0.50000 0.00000 0.11000 0.06219 KA 0.00000 0.50000 0.00000 0.06800 0.06219 NaA(m) 0.02910 0.50000 0.07270 0.10900 0.06079 KA(m) 0.02910 0.50000 0.07270 0.06700 0.06079 NaA(2) 0.00000 0.46750 0.00000 0.10900 0.02102 KA(2) 0.00000 0.46750 0.00000 0.06700 0.02102 H 0.19740 0.00000 0.76760 1.00000 0.05459 O1 0.10730 0.08750 0.21620 1.00000 0.00975 O2 0.11950 0.17320 0.73210 1.00000 0.00811 O-h3 0.10840 0.00000 0.71730 1.00000 0.00975 O4 0.36710 0.25000 0.78840 1.00000 0.01077 O5 0.34960 0.14030 0.11210 1.00000 0.01089 O6 0.34370 0.11630 0.60900 1.00000 0.01216 O7 0.33940 0.00000 0.27530 1.00000 0.01406