data_global _chemical_name_mineral 'Tremolite' loop_ _publ_author_name 'Merli M' 'Ungaretti L' 'Oberti R' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 532 _journal_page_last 542 _publ_section_title ; Leverage analysis and structure refinement of minerals Sample: from Val Tremola 9527 ; _database_code_amcsd 0002418 _chemical_formula_sum 'Si8 Mg5 Ca2 H2 O24' _cell_length_a 9.8359 _cell_length_b 18.0450 _cell_length_c 5.2752 _cell_angle_alpha 90 _cell_angle_beta 104.750 _cell_angle_gamma 90 _cell_volume 905.435 _exptl_crystal_density_diffrn 2.980 _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_U_iso_or_equiv SiT1 0.28060 0.08390 0.29720 ? SiT2 0.28840 0.17110 -0.19530 ? MgM1 0.00000 0.08780 0.50000 ? MgM2 0.00000 0.17650 0.00000 ? MgM3 0.00000 0.00000 0.00000 ? CaM4 0.00000 0.27800 0.50000 ? H 0.19600 0.00000 0.76400 0.00015 O1 0.11190 0.08570 0.21800 ? O2 0.11870 0.17090 0.72440 ? O3 0.10850 0.00000 0.71550 ? O4 0.13510 0.25190 0.20690 ? O5 0.34660 0.13440 0.10050 ? O6 0.34400 0.11880 0.58910 ? O7 0.33770 0.00000 0.29280 ? 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 0.00421 0.00403 0.00460 -0.00037 0.00105 -0.00017 SiT2 0.00423 0.00464 0.00443 -0.00078 0.00124 -0.00018 MgM1 0.00656 0.00535 0.00577 0.00000 0.00191 0.00000 MgM2 0.00608 0.00557 0.00628 0.00000 0.00190 0.00000 MgM3 0.00656 0.00491 0.00576 0.00000 0.00125 0.00000 CaM4 0.00970 0.00605 0.01011 0.00000 0.00610 0.00000 O1 0.00447 0.00607 0.00649 -0.00030 0.00117 -0.00019 O2 0.00459 0.00722 0.00646 -0.00037 0.00140 -0.00045 O3 0.00834 0.00656 0.00733 0.00000 0.00218 0.00000 O4 0.00872 0.00579 0.00860 -0.00276 0.00313 -0.00083 O5 0.00664 0.00921 0.00646 -0.00065 0.00165 0.00271 O6 0.00680 0.00878 0.00592 0.00016 0.00139 -0.00256 O7 0.00787 0.00407 0.01318 0.00000 0.00294 0.00000