data_global _chemical_name_mineral 'Tremolite' loop_ _publ_author_name 'Antao S M' 'Hassan I' 'Wang J' 'Lee P L' 'Toby B H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 1501 _journal_page_last 1509 _publ_section_title ; State-of-the-art high-resolution powder X-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite ; _database_code_amcsd 0006210 _chemical_compound_source 'Gouverneur district, New York' _chemical_formula_sum 'Na.38 Ca1.8 K.12 Mg4.94 Fe.06 Si7.8 Al.2 O23.34 F.66' _cell_length_a 9.85145 _cell_length_b 18.02911 _cell_length_c 5.273416 _cell_angle_alpha 90 _cell_angle_beta 104.7566 _cell_angle_gamma 90 _cell_volume 905.733 _exptl_crystal_density_diffrn 3.005 _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 Na1 0.00000 0.27779 0.50000 0.10000 0.00800 Ca 0.00000 0.27779 0.50000 0.90000 0.00800 Na2 0.00000 0.50000 0.00000 0.18000 0.14240 K 0.00000 0.50000 0.00000 0.12000 0.14240 Mg1 0.00000 0.08840 0.50000 1.00000 0.00620 Mg2 0.00000 0.17720 0.00000 0.97000 0.00800 Fe 0.00000 0.17720 0.00000 0.03000 0.00800 Mg3 0.00000 0.00000 0.00000 1.00000 0.00830 Si1 0.27914 0.08413 0.29810 0.95000 0.00480 Al1 0.27914 0.08413 0.29810 0.05000 0.00480 Si2 0.28831 0.17138 0.80430 1.00000 0.00460 O1 0.11290 0.08519 0.22190 1.00000 0.00520 O2 0.12100 0.17050 0.72780 1.00000 0.00870 O3 0.10980 0.00000 0.71580 0.67000 0.01430 F 0.10980 0.00000 0.71580 0.33000 0.01430 O4 0.36380 0.24776 0.79230 1.00000 0.00510 O5 0.34530 0.13409 0.09920 1.00000 0.00800 O6 0.34410 0.11854 0.59060 1.00000 0.00780 O7 0.33670 0.00000 0.29230 1.00000 0.01270 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 Na1 0.01320 0.00560 0.00850 0.00000 0.00740 0.00000 Ca 0.01320 0.00560 0.00850 0.00000 0.00740 0.00000 Na2 0.16000 0.07900 0.26300 0.00000 0.18500 0.00000 K 0.16000 0.07900 0.26300 0.00000 0.18500 0.00000 Mg1 0.01710 0.00340 0.00170 0.00000 0.00710 0.00000 Mg2 0.00910 0.00950 0.00630 0.00000 0.00290 0.00000 Fe 0.00910 0.00950 0.00630 0.00000 0.00290 0.00000 Mg3 0.00870 0.00930 0.00790 0.00000 0.00350 0.00000 Si1 0.00500 0.00450 0.00470 -0.00120 0.00060 -0.00050 Al1 0.00500 0.00450 0.00470 -0.00120 0.00060 -0.00050 Si2 0.00700 0.00500 0.00290 -0.00230 0.00250 -0.00140 O1 0.00680 0.00370 0.00330 -0.00140 -0.00270 0.00210 O2 0.01790 0.00610 0.00640 -0.00280 0.00890 -0.00120 O3 0.03090 0.00540 0.01370 0.00000 0.01560 0.00000 F 0.03090 0.00540 0.01370 0.00000 0.01560 0.00000 O4 0.00860 0.00440 0.00200 -0.00240 -0.00020 -0.00080 O5 0.00620 0.00900 0.01060 0.01150 0.00530 0.00230 O6 0.00990 0.00810 0.00650 0.00290 0.00320 0.00190 O7 0.01430 0.01860 0.00710 0.00000 0.00460 0.00000