data_global _chemical_name_mineral 'Hornblende' loop_ _publ_author_name 'Phillips M W' 'Draheim J E' 'Popp R K' 'Clowe C A' 'Pinkerton A A' _journal_name_full 'American Mineralogist' _journal_volume 74 _journal_year 1989 _journal_page_first 764 _journal_page_last 773 _publ_section_title ; Effects of oxidation-dehydrogenation in tschermakitic hornblende sample H-3, after annealing at 700 C ; _database_code_amcsd 0001251 _chemical_formula_sum 'Al2.42 Si6.44 Fe1.852 Mg2.218 Ti.07 Ca1.83 Na.706 O24 H1.34' _cell_length_a 9.786 _cell_length_b 18.024 _cell_length_c 5.306 _cell_angle_alpha 90 _cell_angle_beta 105.09 _cell_angle_gamma 90 _cell_volume 903.616 _exptl_crystal_density_diffrn 3.241 _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 Al1 0.28216 0.08563 0.30101 0.39000 ? Si1 0.28216 0.08563 0.30101 0.61000 ? Si2 0.29167 0.17291 0.81243 1.00000 ? Fe1 0.00000 0.08686 0.50000 0.44300 ? Mg1 0.00000 0.08686 0.50000 0.55700 ? Fe2 0.00000 0.17738 0.00000 0.25600 ? Mg2 0.00000 0.17738 0.00000 0.27900 ? Al2 0.00000 0.17738 0.00000 0.43000 ? Ti2 0.00000 0.17738 0.00000 0.03500 ? Fe3 0.00000 0.00000 0.00000 0.45400 ? Mg3 0.00000 0.00000 0.00000 0.54600 ? Ca4 0.00000 0.27950 0.50000 0.91500 ? Na4 0.00000 0.27950 0.50000 0.07300 ? O1 0.10730 0.08960 0.21410 1.00000 ? O2 0.11880 0.17340 0.73330 1.00000 ? O3 0.10930 0.00000 0.71420 1.00000 ? O4 0.36700 0.25060 0.79320 1.00000 ? O5 0.35010 0.13940 0.10660 1.00000 ? O6 0.34410 0.11950 0.60190 1.00000 ? O7 0.33710 0.00000 0.28700 1.00000 ? Na2/m 0.00000 0.50000 0.00000 0.56000 ? H 0.29100 0.50000 0.26300 0.67000 0.00633 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Al1 0.00740 0.00660 0.00680 -0.00090 0.00060 0.00020 Si1 0.00740 0.00660 0.00680 -0.00090 0.00060 0.00020 Si2 0.00730 0.00650 0.00770 0.00010 0.00190 0.00110 Fe1 0.00950 0.01180 0.00790 0.00000 0.00340 0.00000 Mg1 0.00950 0.01180 0.00790 0.00000 0.00340 0.00000 Fe2 0.00730 0.00660 0.00810 0.00000 0.00170 0.00000 Mg2 0.00730 0.00660 0.00810 0.00000 0.00170 0.00000 Al2 0.00730 0.00660 0.00810 0.00000 0.00170 0.00000 Ti2 0.00730 0.00660 0.00810 0.00000 0.00170 0.00000 Fe3 0.00960 0.00410 0.00750 0.00000 0.00140 0.00000 Mg3 0.00960 0.00410 0.00750 0.00000 0.00140 0.00000 Ca4 0.01120 0.00930 0.01060 0.00000 0.00550 0.00000 Na4 0.01120 0.00930 0.01060 0.00000 0.00550 0.00000 O1 0.01000 0.01800 0.01010 -0.00270 0.00200 -0.00120 O2 0.00650 0.01220 0.01160 0.00020 0.00050 0.00140 O3 0.01100 0.01400 0.01100 0.00000 0.00030 0.00000 O4 0.01460 0.00940 0.01600 -0.00150 0.00680 -0.00100 O5 0.00870 0.01600 0.01440 -0.00020 0.00180 0.00580 O6 0.01020 0.01400 0.01230 0.00140 0.00200 -0.00420 O7 0.01700 0.01600 0.01900 0.00000 0.00300 0.00000 Na2/m 0.27600 0.09000 0.32500 0.00000 0.28500 0.00000