data_global _chemical_name_mineral 'Tremolite' loop_ _publ_author_name 'Hawthorne F C' 'Grundy H D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 14 _journal_year 1976 _journal_page_first 334 _journal_page_last 345 _publ_section_title ; The crystal chemistry of the amphiboles: IV. X-ray and neutron refinements of the crystal structure of tremolite Sample: Neutron data ; _database_code_amcsd 0005125 _chemical_formula_sum 'Si7.84 Al.16 Mg5 Ca1.8 Na.56 K.24 O23.332 F.656 Cl.012 H1.332' _cell_length_a 9.863 _cell_length_b 18.048 _cell_length_c 5.285 _cell_angle_alpha 90 _cell_angle_beta 104.79 _cell_angle_gamma 90 _cell_volume 909.600 _exptl_crystal_density_diffrn 3.023 _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 0.27990 0.08424 0.29740 0.96000 ? AlT1 0.27990 0.08424 0.29740 0.04000 ? SiT2 0.28820 0.17133 0.80560 1.00000 ? MgM1 0.00000 0.08830 0.50000 1.00000 ? MgM2 0.00000 0.17700 0.00000 1.00000 ? MgM3 0.00000 0.00000 0.00000 1.00000 ? CaM4 0.00000 0.27790 0.50000 0.90000 ? NaM4 0.00000 0.27790 0.50000 0.10000 ? NaAm 0.04500 0.50000 0.10300 0.09000 0.01773 KAm 0.04500 0.50000 0.10300 0.06000 0.01773 NaA2 0.00000 0.48970 0.00000 0.09000 0.01773 KA2 0.00000 0.48970 0.00000 0.06000 0.01773 O1 0.11140 0.08570 0.21820 1.00000 ? O2 0.11870 0.17067 0.72510 1.00000 ? O-h3 0.10820 0.00000 0.71540 0.66600 ? F3 0.10820 0.00000 0.71540 0.32800 ? Cl3 0.10820 0.00000 0.71540 0.00600 ? O4 0.36420 0.24818 0.79280 1.00000 ? O5 0.34670 0.13391 0.09980 1.00000 ? O6 0.34370 0.11805 0.59100 1.00000 ? O7 0.33800 0.00000 0.29210 1.00000 ? H 0.20880 0.00000 0.76280 0.66600 ? 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 SiT1 0.00456 0.00413 0.00348 0.00017 0.00116 -0.00037 AlT1 0.00456 0.00413 0.00348 0.00017 0.00116 -0.00037 SiT2 0.00461 0.00429 0.00501 -0.00044 0.00116 -0.00051 MgM1 0.00599 0.00380 0.00434 0.00000 0.00158 0.00000 MgM2 0.00461 0.00561 0.00454 0.00000 0.00158 0.00000 MgM3 0.00640 0.00264 0.00422 0.00000 0.00153 0.00000 CaM4 0.01143 0.00726 0.01155 0.00000 0.00839 0.00000 NaM4 0.01143 0.00726 0.01155 0.00000 0.00839 0.00000 O1 0.00511 0.00561 0.00577 -0.00044 0.00074 -0.00042 O2 0.00451 0.00726 0.00593 -0.00052 0.00183 -0.00089 O-h3 0.00834 0.00743 0.00791 0.00000 0.00259 0.00000 F3 0.00834 0.00743 0.00791 0.00000 0.00259 0.00000 Cl3 0.00834 0.00743 0.00791 0.00000 0.00259 0.00000 O4 0.00995 0.00594 0.00829 -0.00279 0.00286 -0.00065 O5 0.00737 0.01089 0.00487 -0.00052 0.00193 0.00355 O6 0.00709 0.00924 0.00732 0.00026 0.00222 -0.00271 O7 0.00889 0.00495 0.01411 0.00000 0.00217 0.00000 H 0.01170 0.03597 0.03247 0.00000 0.00012 0.00000