data_global _chemical_name_mineral 'Rhodonite' loop_ _publ_author_name 'Nelson W R' 'Griffen D T' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 969 _journal_page_last 983 _publ_section_title ; Crystal chemistry of Zn-rich rhodonite ("fowlerite") Sample: 15-4014 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions ; _database_code_amcsd 0003783 _chemical_formula_sum 'Mn3 Zn Ca Si5 O15' _cell_length_a 9.8768 _cell_length_b 10.5222 _cell_length_c 12.2180 _cell_angle_alpha 108.748 _cell_angle_beta 103.781 _cell_angle_gamma 82.037 _cell_volume 1165.125 _exptl_crystal_density_diffrn 3.710 _symmetry_space_group_name_H-M 'C -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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mn1 -0.00146 0.03131 0.14668 0.00790 Mn2 0.00075 0.12599 0.44403 0.00800 Mn3 0.01672 0.20418 0.72898 0.00810 Zn4 0.06686 0.26320 0.02122 0.01140 Ca5 0.99362 0.35906 0.30631 0.01040 Si1 0.20495 0.44901 0.91116 0.00650 Si2 0.21321 0.36630 0.65340 0.00580 Si3 0.21794 0.57993 0.52844 0.00610 Si4 0.21385 0.50566 0.25871 0.00660 Si5 0.20233 0.70059 0.12362 0.00680 OA1 0.12740 0.07300 0.03970 0.00910 OA2 0.11880 0.15770 0.32250 0.00880 OA3 0.11340 0.92300 0.43660 0.00850 OA4 0.11960 0.01360 0.73280 0.00890 OA5 0.13310 0.79020 0.85300 0.00930 OA6 0.09540 0.83140 0.12760 0.00970 OB1 0.12980 0.31960 0.90140 0.01050 OB2 0.12600 0.23590 0.61000 0.00980 OB3 0.13160 0.71250 0.58670 0.01100 OB4 0.12560 0.38030 0.17940 0.01080 OC1 0.17060 0.46800 0.77760 0.00870 OC2 0.15950 0.45970 0.56390 0.00980 OC3 0.16630 0.53460 0.38500 0.01010 OC4 0.15660 0.64260 0.22020 0.00910 OC5 0.14550 0.58990 0.99510 0.00990 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 Mn1 0.00700 0.00700 0.00970 0.00230 0.00280 0.00090 Mn2 0.00710 0.00780 0.00910 0.00260 0.00230 0.00070 Mn3 0.00780 0.00750 0.00870 0.00170 0.00280 0.00060 Zn4 0.01630 0.00850 0.00770 0.00210 -0.00080 -0.00190 Ca5 0.00870 0.00980 0.01470 0.00480 0.00500 0.00030 Si1 0.00520 0.00680 0.00660 0.00080 0.00170 0.00010 Si2 0.00460 0.00590 0.00690 0.00210 0.00130 0.00050 Si3 0.00510 0.00680 0.00610 0.00190 0.00140 0.00080 Si4 0.00500 0.00770 0.00720 0.00270 0.00150 0.00040 Si5 0.00610 0.00630 0.00770 0.00200 0.00230 0.00140 OA1 0.00470 0.01120 0.01150 0.00430 0.00120 0.00120 OA2 0.00470 0.01060 0.01080 0.00320 0.00180 0.00090 OA3 0.00540 0.00960 0.01030 0.00250 0.00150 -0.00040 OA4 0.00640 0.00850 0.01220 0.00410 0.00240 0.00120 OA5 0.00690 0.00850 0.01230 0.00280 0.00280 0.00050 OA6 0.00820 0.00690 0.01390 0.00340 0.00330 0.00260 OB1 0.01120 0.00940 0.01130 0.00310 0.00200 -0.00260 OB2 0.01060 0.00900 0.00940 0.00190 0.00160 -0.00280 OB3 0.00920 0.01010 0.01230 0.00180 0.00460 0.00410 OB4 0.01130 0.01050 0.00900 -0.00050 0.00270 -0.00300 OC1 0.00950 0.00860 0.00720 0.00130 0.00300 0.00160 OC2 0.00780 0.01130 0.01220 0.00710 0.00160 0.00020 OC3 0.00870 0.01440 0.00680 0.00250 0.00190 -0.00070 OC4 0.00890 0.01040 0.00940 0.00570 0.00330 0.00310 OC5 0.00780 0.01070 0.00830 -0.00070 0.00160 0.00060