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: 15-4033 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions ; _database_code_amcsd 0003780 _chemical_formula_sum 'Mn5 Si5 O15' _cell_length_a 9.7834 _cell_length_b 10.5023 _cell_length_c 12.2338 _cell_angle_alpha 108.682 _cell_angle_beta 103.273 _cell_angle_gamma 82.213 _cell_volume 1156.343 _exptl_crystal_density_diffrn 3.763 _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 -0.00085 0.02972 0.14763 0.00760 Mn2 0.00127 0.12683 0.44458 0.00770 Mn3 0.01677 0.20350 0.72977 0.00770 Mn4 0.06199 0.26365 0.02470 0.01140 Mn5 0.99470 0.34929 0.30121 0.01610 Si1 0.20430 0.45080 0.91050 0.00600 Si2 0.21210 0.36610 0.65420 0.00560 Si3 0.21600 0.57900 0.53030 0.00630 Si4 0.21290 0.50720 0.26260 0.00650 Si5 0.20380 0.70080 0.12470 0.00620 OA1 0.12670 0.06950 0.04030 0.00770 OA2 0.11810 0.15760 0.32090 0.00820 OA3 0.11440 0.92230 0.43580 0.00910 OA4 0.11910 0.01260 0.73080 0.00930 OA5 0.12990 0.79160 0.85380 0.00930 OA6 0.09770 0.83340 0.13100 0.00980 OB1 0.12990 0.32110 0.90200 0.01140 OB2 0.12460 0.23470 0.61090 0.00870 OB3 0.12750 0.70960 0.59180 0.01710 OB4 0.12450 0.38030 0.18630 0.01270 OC1 0.16810 0.46940 0.77740 0.00860 OC2 0.16010 0.45530 0.56220 0.01450 OC3 0.16410 0.54060 0.38810 0.01120 OC4 0.15640 0.64150 0.22010 0.00880 OC5 0.14490 0.59290 0.99540 0.00980 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 0.00860 0.00670 0.00860 0.00380 0.00300 0.00090 Mn2 0.00820 0.00800 0.00730 0.00290 0.00230 0.00040 Mn3 0.00890 0.00690 0.00830 0.00260 0.00370 0.00080 Mn4 0.01750 0.00830 0.00760 0.00320 -0.00120 -0.00190 Mn5 0.01220 0.01990 0.02310 0.01390 0.00760 0.00120 Si1 0.00550 0.00650 0.00600 0.00190 0.00140 0.00000 Si2 0.00530 0.00620 0.00650 0.00330 0.00180 0.00060 Si3 0.00550 0.00710 0.00600 0.00190 0.00140 0.00090 Si4 0.00660 0.00720 0.00640 0.00330 0.00130 0.00040 Si5 0.00570 0.00690 0.00670 0.00330 0.00190 0.00120 OA1 0.00650 0.00730 0.00870 0.00160 0.00190 -0.00020 OA2 0.00640 0.00880 0.00930 0.00290 0.00220 0.00120 OA3 0.00590 0.01030 0.01150 0.00340 0.00190 -0.00080 OA4 0.00610 0.00910 0.01390 0.00630 0.00240 0.00260 OA5 0.00910 0.00750 0.01010 0.00180 0.00110 -0.00030 OA6 0.01030 0.00810 0.01260 0.00490 0.00380 0.00080 OB1 0.01490 0.00840 0.01090 0.00220 0.00200 -0.00390 OB2 0.00990 0.00840 0.00880 0.00260 0.00280 -0.00230 OB3 0.01350 0.01370 0.01580 -0.00280 0.00100 0.00620 OB4 0.01390 0.01080 0.01060 0.00010 -0.00010 -0.00340 OC1 0.01230 0.00880 0.00470 0.00170 0.00290 0.00090 OC2 0.01000 0.02150 0.01870 0.01600 0.00020 -0.00350 OC3 0.01060 0.01930 0.00610 0.00770 0.00130 0.00040 OC4 0.00980 0.01090 0.00870 0.00690 0.00370 0.00180 OC5 0.00840 0.00980 0.00820 -0.00040 0.00050 -0.00050