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: 15-4034 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions ; _database_code_amcsd 0003781 _chemical_formula_sum 'Mn5 Si5 O15' _cell_length_a 9.7648 _cell_length_b 10.4912 _cell_length_c 12.2228 _cell_angle_alpha 108.671 _cell_angle_beta 103.177 _cell_angle_gamma 82.284 _cell_volume 1152.475 _exptl_crystal_density_diffrn 3.776 _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 -0.00101 0.02939 0.14751 0.00770 Mn2 0.00116 0.12727 0.44477 0.00830 Mn3 0.01674 0.20328 0.72983 0.00730 Mn4 0.06192 0.26382 0.02522 0.01170 Mn5 0.99427 0.34716 0.29972 0.01610 Si1 0.20450 0.45060 0.91050 0.00660 Si2 0.21210 0.36560 0.65420 0.00590 Si3 0.21540 0.57860 0.53080 0.00680 Si4 0.21220 0.50720 0.26320 0.00680 Si5 0.20390 0.70070 0.12480 0.00650 OA1 0.12710 0.06970 0.04060 0.00880 OA2 0.11870 0.15810 0.32080 0.00790 OA3 0.11480 0.92130 0.43600 0.00880 OA4 0.12000 0.01290 0.73110 0.00930 OA5 0.13010 0.79130 0.85370 0.00890 OA6 0.09800 0.83290 0.13090 0.00970 OB1 0.12990 0.32050 0.90260 0.01230 OB2 0.12490 0.23420 0.61110 0.00950 OB3 0.12600 0.70880 0.59270 0.01710 OB4 0.12320 0.38010 0.18760 0.01380 OC1 0.16810 0.46930 0.77750 0.00920 OC2 0.16060 0.45430 0.56190 0.01480 OC3 0.16380 0.54220 0.38910 0.01190 OC4 0.15610 0.64140 0.21990 0.00970 OC5 0.14530 0.59230 0.99510 0.00930 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 0.00820 0.00730 0.00830 0.00180 0.00360 -0.00070 Mn2 0.00910 0.00910 0.00690 0.00140 0.00290 -0.00120 Mn3 0.00840 0.00680 0.00700 0.00090 0.00400 -0.00080 Mn4 0.01830 0.00890 0.00670 0.00170 -0.00040 -0.00290 Mn5 0.01280 0.01980 0.02160 0.01140 0.00790 -0.00050 Si1 0.00620 0.00660 0.00630 0.00000 0.00220 -0.00160 Si2 0.00630 0.00670 0.00520 0.00140 0.00230 -0.00160 Si3 0.00690 0.00810 0.00510 0.00100 0.00240 -0.00010 Si4 0.00640 0.00810 0.00600 0.00210 0.00120 -0.00120 Si5 0.00710 0.00710 0.00510 0.00060 0.00270 -0.00080 OA1 0.00920 0.00840 0.00770 0.00150 0.00110 -0.00040 OA2 0.00660 0.00910 0.00800 0.00240 0.00190 0.00020 OA3 0.00550 0.01110 0.00960 0.00220 0.00150 -0.00180 OA4 0.00630 0.00920 0.01190 0.00250 0.00210 0.00050 OA5 0.00970 0.00940 0.00790 0.00200 0.00200 -0.00270 OA6 0.01010 0.00730 0.01170 0.00220 0.00350 0.00010 OB1 0.01510 0.01230 0.01040 0.00130 0.00510 -0.00510 OB2 0.01240 0.00850 0.00740 -0.00040 0.00270 -0.00520 OB3 0.01380 0.01500 0.01490 -0.00340 0.00310 0.00590 OB4 0.01520 0.01350 0.00950 -0.00120 0.00160 -0.00300 OC1 0.01380 0.00930 0.00470 0.00020 0.00350 -0.00320 OC2 0.01130 0.02190 0.01690 0.01410 -0.00050 -0.00530 OC3 0.01010 0.02030 0.00790 0.00640 0.00410 -0.00050 OC4 0.01200 0.01180 0.00770 0.00560 0.00300 -0.00010 OC5 0.00880 0.00910 0.00700 -0.00150 0.00140 -0.00030