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: F3 ; _database_code_amcsd 0005448 _chemical_formula_sum 'Si6.168 Al2.512 Mg3.43 Fe1.03 Ti.04 Ca1.82 Na.774 K.005 H2 O24' _cell_length_a 9.867 _cell_length_b 17.998 _cell_length_c 5.285 _cell_angle_alpha 90 _cell_angle_beta 105.19 _cell_angle_gamma 90 _cell_volume 905.753 _exptl_crystal_density_diffrn 3.156 _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 0.28050 0.08540 0.30240 0.77100 0.00532 AlT1 0.28050 0.08540 0.30240 0.22900 0.00532 SiT2 0.29110 0.17310 0.81340 0.77100 0.00583 AlT2 0.29110 0.17310 0.81340 0.22900 0.00583 MgM1 0.00000 0.08940 0.50000 0.84000 0.00621 FeM1 0.00000 0.08940 0.50000 0.16000 0.00621 TiM2 0.00000 0.17640 0.00000 0.02000 0.00595 AlM2 0.00000 0.17640 0.00000 0.27000 0.00595 FeM2 0.00000 0.17640 0.00000 0.19000 0.00595 MgM2 0.00000 0.17640 0.00000 0.52000 0.00595 AlM3 0.00000 0.00000 0.00000 0.14000 0.00595 MgM3 0.00000 0.00000 0.00000 0.67000 0.00595 FeM3 0.00000 0.00000 0.00000 0.19000 0.00595 FeM4 0.00000 0.28010 0.50000 0.03000 0.00874 MgM4 0.00000 0.28010 0.50000 0.01000 0.00874 CaM4 0.00000 0.28010 0.50000 0.46000 0.00874 FeM4* 0.00000 0.25850 0.50000 0.04000 0.00836 MgM4* 0.00000 0.25850 0.50000 0.01000 0.00836 CaM4* 0.00000 0.25850 0.50000 0.45000 0.00836 NaA 0.00000 0.50000 0.00000 0.15400 0.06231 KA 0.00000 0.50000 0.00000 0.00100 0.06231 NaA(m) 0.03360 0.50000 0.08430 0.15500 0.06751 KA(m) 0.03360 0.50000 0.08430 0.00100 0.06751 NaA(2) 0.00000 0.46750 0.00000 0.15500 0.02267 KA(2) 0.00000 0.46750 0.00000 0.00100 0.02267 H 0.18500 0.00000 0.76500 1.00000 0.02533 O1 0.10650 0.08830 0.21520 1.00000 0.01001 O2 0.11990 0.17410 0.73410 1.00000 0.00849 O-h3 0.10860 0.00000 0.71630 1.00000 0.01064 O4 0.36820 0.25010 0.78820 1.00000 0.01115 O5 0.35030 0.14080 0.11300 1.00000 0.01089 O6 0.34360 0.11620 0.61090 1.00000 0.01254 O7 0.34000 0.00000 0.27310 1.00000 0.01355