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: F13 ; _database_code_amcsd 0005457 _chemical_formula_sum 'Si6.608 Al1.702 Mg4.14 Fe.35 Ti.06 Cr.22 Ca1.92 Na.533 K.17 H2 O24' _cell_length_a 9.886 _cell_length_b 18.009 _cell_length_c 5.291 _cell_angle_alpha 90 _cell_angle_beta 105.24 _cell_angle_gamma 90 _cell_volume 908.867 _exptl_crystal_density_diffrn 3.098 _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 0.27980 0.08510 0.30200 0.82600 0.00481 AlT1 0.27980 0.08510 0.30200 0.17400 0.00481 SiT2 0.28980 0.17260 0.81100 0.82600 0.00519 AlT2 0.28980 0.17260 0.81100 0.17400 0.00519 MgM1 0.00000 0.08880 0.50000 0.92000 0.00570 FeM1 0.00000 0.08880 0.50000 0.08000 0.00570 TiM2 0.00000 0.17620 0.00000 0.03000 0.00557 CrM2 0.00000 0.17620 0.00000 0.11000 0.00557 AlM2 0.00000 0.17620 0.00000 0.10000 0.00557 FeM2 0.00000 0.17620 0.00000 0.02000 0.00557 MgM2 0.00000 0.17620 0.00000 0.74000 0.00557 AlM3 0.00000 0.00000 0.00000 0.11000 0.00557 MgM3 0.00000 0.00000 0.00000 0.82000 0.00557 FeM3 0.00000 0.00000 0.00000 0.07000 0.00557 FeM4 0.00000 0.27950 0.50000 0.02000 0.00849 CaM4 0.00000 0.27950 0.50000 0.48000 0.00849 FeM4* 0.00000 0.25590 0.50000 0.02000 0.00747 CaM4* 0.00000 0.25590 0.50000 0.48000 0.00747 NaA 0.00000 0.50000 0.00000 0.10700 0.01330 KA 0.00000 0.50000 0.00000 0.03400 0.01330 NaA(m) 0.02860 0.50000 0.06570 0.10600 0.04293 KA(m) 0.02860 0.50000 0.06570 0.03400 0.04293 NaA(2) 0.00000 0.46820 0.00000 0.10700 0.03014 KA(2) 0.00000 0.46820 0.00000 0.03400 0.03014 H 0.19760 0.00000 0.76150 1.00000 0.03356 O1 0.10780 0.08720 0.21730 1.00000 0.00823 O2 0.11940 0.17280 0.73030 1.00000 0.00735 O-h3 0.10840 0.00000 0.71640 1.00000 0.00861 O4 0.36650 0.24940 0.78910 1.00000 0.01001 O5 0.34840 0.13890 0.11020 1.00000 0.01064 O6 0.34360 0.11650 0.60620 1.00000 0.01115 O7 0.33850 0.00000 0.28050 1.00000 0.01381