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: F1 ; _database_code_amcsd 0005447 _chemical_formula_sum 'Si6.232 Al2.318 Mg3.33 Fe1.08 Ti.12 Cr.08 Ca1.84 Na.744 K.039 H2 O24' _cell_length_a 9.873 _cell_length_b 18.011 _cell_length_c 5.299 _cell_angle_alpha 90 _cell_angle_beta 105.17 _cell_angle_gamma 90 _cell_volume 909.447 _exptl_crystal_density_diffrn 3.166 _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 0.28060 0.08530 0.30220 0.77900 0.00481 AlT1 0.28060 0.08530 0.30220 0.22100 0.00481 SiT2 0.29090 0.17280 0.81240 0.77900 0.00557 AlT2 0.29090 0.17280 0.81240 0.22100 0.00557 MgM1 0.00000 0.08920 0.50000 0.78000 0.00633 FeM1 0.00000 0.08920 0.50000 0.22000 0.00633 TiM2 0.00000 0.17680 0.00000 0.06000 0.00595 CrM2 0.00000 0.17680 0.00000 0.04000 0.00595 AlM2 0.00000 0.17680 0.00000 0.22000 0.00595 FeM2 0.00000 0.17680 0.00000 0.14000 0.00595 MgM2 0.00000 0.17680 0.00000 0.54000 0.00595 AlM3 0.00000 0.00000 0.00000 0.11000 0.00621 MgM3 0.00000 0.00000 0.00000 0.65000 0.00621 FeM3 0.00000 0.00000 0.00000 0.24000 0.00621 FeM4 0.00000 0.27990 0.50000 0.03000 0.00849 MgM4 0.00000 0.27990 0.50000 0.01000 0.00849 CaM4 0.00000 0.27990 0.50000 0.46000 0.00849 FeM4* 0.00000 0.25660 0.50000 0.03000 0.00633 MgM4* 0.00000 0.25660 0.50000 0.01000 0.00633 CaM4* 0.00000 0.25660 0.50000 0.46000 0.00633 NaA 0.00000 0.50000 0.00000 0.14800 0.06687 KA 0.00000 0.50000 0.00000 0.00700 0.06687 NaA(m) 0.03590 0.50000 0.09040 0.14900 0.05028 KA(m) 0.03590 0.50000 0.09040 0.00800 0.05028 NaA(2) 0.00000 0.46820 0.00000 0.14900 0.01773 KA(2) 0.00000 0.46820 0.00000 0.00800 0.01773 H 0.19080 0.00000 0.76180 1.00000 0.01494 O1 0.10700 0.08810 0.21540 1.00000 0.00988 O2 0.11960 0.17380 0.73270 1.00000 0.00798 O-h3 0.10850 0.00000 0.71590 1.00000 0.01013 O4 0.36800 0.24980 0.78820 1.00000 0.01089 O5 0.34990 0.14040 0.11220 1.00000 0.01089 O6 0.34350 0.11620 0.60940 1.00000 0.01229 O7 0.33950 0.00000 0.27440 1.00000 0.01368