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: 15-4025 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions ; _database_code_amcsd 0003776 _chemical_formula_sum 'Mn5 Si5 O15' _cell_length_a 9.7999 _cell_length_b 10.5176 _cell_length_c 12.2365 _cell_angle_alpha 108.587 _cell_angle_beta 103.185 _cell_angle_gamma 82.320 _cell_volume 1161.395 _exptl_crystal_density_diffrn 3.747 _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 -0.00034 0.02954 0.14809 0.00812 Mn2 0.00120 0.12793 0.44526 0.00825 Mn3 0.01663 0.20381 0.72996 0.00756 Mn4 0.06073 0.26429 0.02527 0.01077 Mn5 0.99431 0.34853 0.30080 0.01544 Si1 0.20470 0.45100 0.91080 0.00630 Si2 0.21240 0.36590 0.65410 0.00570 Si3 0.21630 0.57920 0.53100 0.00640 Si4 0.21290 0.50740 0.26330 0.00680 Si5 0.20450 0.70040 0.12490 0.00640 OA1 0.12740 0.07000 0.04070 0.00720 OA2 0.11860 0.15820 0.32110 0.00890 OA3 0.11480 0.92140 0.43590 0.01010 OA4 0.11990 0.01260 0.73120 0.00970 OA5 0.12990 0.79000 0.85320 0.00850 OA6 0.09810 0.83300 0.13120 0.00920 OB1 0.13020 0.32210 0.90320 0.00980 OB2 0.12480 0.23510 0.61160 0.00880 OB3 0.12780 0.70940 0.59350 0.01660 OB4 0.12400 0.38080 0.18840 0.01330 OC1 0.16910 0.46950 0.77750 0.00960 OC2 0.16100 0.45490 0.56210 0.01390 OC3 0.16470 0.54230 0.38930 0.01130 OC4 0.15690 0.63990 0.21900 0.00930 OC5 0.14510 0.59310 0.99510 0.01040 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 0.00810 0.00920 0.00840 0.00410 0.00310 0.00140 Mn2 0.00820 0.01060 0.00660 0.00380 0.00200 0.00090 Mn3 0.00880 0.00870 0.00630 0.00310 0.00350 0.00100 Mn4 0.01580 0.00940 0.00620 0.00290 -0.00030 -0.00040 Mn5 0.01180 0.02150 0.01940 0.01310 0.00760 0.00170 Si1 0.00550 0.00880 0.00520 0.00250 0.00240 0.00040 Si2 0.00510 0.00790 0.00520 0.00370 0.00190 0.00080 Si3 0.00650 0.00910 0.00360 0.00210 0.00160 0.00130 Si4 0.00650 0.01040 0.00440 0.00390 0.00140 0.00100 Si5 0.00640 0.00840 0.00530 0.00360 0.00210 0.00200 OA1 0.00510 0.01000 0.00760 0.00380 0.00300 0.00160 OA2 0.00900 0.00820 0.01120 0.00360 0.00420 -0.00050 OA3 0.00720 0.01400 0.01070 0.00580 0.00130 -0.00160 OA4 0.00590 0.01300 0.01160 0.00490 0.00400 0.00110 OA5 0.00660 0.01170 0.00640 0.00170 0.00050 -0.00170 OA6 0.00720 0.00960 0.01070 0.00250 0.00340 0.00180 OB1 0.01290 0.00900 0.00990 0.00490 0.00270 -0.00260 OB2 0.00880 0.01200 0.00610 0.00240 0.00180 -0.00200 OB3 0.01600 0.01500 0.01200 -0.00130 0.00240 0.00880 OB4 0.01220 0.01400 0.01010 0.00050 -0.00040 -0.00180 OC1 0.01010 0.01500 0.00360 0.00260 0.00380 0.00250 OC2 0.00950 0.02400 0.01330 0.01210 0.00210 -0.00230 OC3 0.01160 0.01900 0.00440 0.00570 0.00170 0.00070 OC4 0.01170 0.01130 0.00640 0.00580 0.00170 0.00160 OC5 0.01010 0.01500 0.00570 0.00070 0.00390 0.00090