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: 15-4018 Note: see samples 15-4029 and 15-4024 for plausible typical "fowlerite" and rhodonite cation distributions ; _database_code_amcsd 0003774 _chemical_formula_sum 'Mn5 Si5 O15' _cell_length_a 9.8381 _cell_length_b 10.5361 _cell_length_c 12.2381 _cell_angle_alpha 108.697 _cell_angle_beta 103.335 _cell_angle_gamma 82.191 _cell_volume 1166.558 _exptl_crystal_density_diffrn 3.730 _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 0.00006 0.03038 0.14794 0.00690 Mn2 0.00148 0.12666 0.44492 0.00690 Mn3 0.01651 0.20458 0.72987 0.00680 Mn4 0.06046 0.26422 0.02370 0.00940 Mn5 0.99571 0.35515 0.30519 0.01210 Si1 0.20460 0.45070 0.91100 0.00500 Si2 0.21230 0.36690 0.65390 0.00480 Si3 0.21740 0.58030 0.52980 0.00530 Si4 0.21480 0.50680 0.26130 0.00510 Si5 0.20520 0.70100 0.12490 0.00540 OA1 0.12810 0.07060 0.04020 0.00710 OA2 0.11920 0.15770 0.32240 0.00770 OA3 0.11380 0.92210 0.43620 0.00740 OA4 0.11830 0.01310 0.73160 0.00800 OA5 0.13000 0.79070 0.85340 0.00780 OA6 0.09840 0.83280 0.13080 0.00770 OB1 0.12860 0.32250 0.90190 0.00890 OB2 0.12470 0.23690 0.61130 0.00790 OB3 0.12950 0.71170 0.58940 0.01270 OB4 0.12620 0.38130 0.18380 0.01060 OC1 0.16950 0.46990 0.77760 0.00720 OC2 0.15960 0.45890 0.56340 0.01130 OC3 0.16640 0.53840 0.38690 0.00860 OC4 0.15850 0.64220 0.22010 0.00780 OC5 0.14650 0.59300 0.99560 0.00770 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 0.00710 0.00610 0.00790 -0.00090 0.00170 0.00240 Mn2 0.00720 0.00730 0.00640 -0.00130 0.00120 0.00230 Mn3 0.00780 0.00670 0.00630 -0.00150 0.00180 0.00160 Mn4 0.01450 0.00710 0.00550 -0.00380 -0.00210 0.00180 Mn5 0.00930 0.01450 0.01700 -0.00150 0.00470 0.00910 Si1 0.00450 0.00520 0.00480 -0.00220 0.00000 0.00070 Si2 0.00460 0.00570 0.00410 -0.00180 -0.00010 0.00160 Si3 0.00530 0.00600 0.00370 -0.00100 -0.00030 0.00080 Si4 0.00510 0.00610 0.00380 -0.00120 -0.00010 0.00160 Si5 0.00520 0.00610 0.00480 -0.00140 0.00010 0.00190 OA1 0.00640 0.00780 0.00680 -0.00250 -0.00040 0.00200 OA2 0.00580 0.00850 0.00830 -0.00010 0.00150 0.00230 OA3 0.00350 0.00890 0.00920 -0.00190 -0.00040 0.00270 OA4 0.00490 0.01110 0.00990 0.00050 0.00200 0.00570 OA5 0.00570 0.00780 0.00880 0.00010 0.00000 0.00240 OA6 0.00660 0.00510 0.01070 0.00130 0.00220 0.00200 OB1 0.00930 0.00760 0.00960 -0.00470 -0.00060 0.00230 OB2 0.00940 0.00680 0.00770 -0.00450 0.00040 0.00160 OB3 0.01130 0.01050 0.01120 0.00270 0.00010 -0.00080 OB4 0.01190 0.00890 0.00840 -0.00450 0.00020 -0.00110 OC1 0.01010 0.00670 0.00360 -0.00170 0.00060 0.00000 OC2 0.00870 0.01650 0.01330 -0.00480 -0.00040 0.01100 OC3 0.01010 0.01250 0.00380 -0.00230 0.00070 0.00330 OC4 0.01010 0.00890 0.00650 -0.00040 0.00260 0.00440 OC5 0.00740 0.00800 0.00490 -0.00020 0.00010 -0.00100