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: 15-4030 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions ; _database_code_amcsd 0003778 _chemical_formula_sum 'Mn5 Si5 O15' _cell_length_a 9.8451 _cell_length_b 10.5389 _cell_length_c 12.2414 _cell_angle_alpha 108.692 _cell_angle_beta 103.299 _cell_angle_gamma 82.184 _cell_volume 1168.193 _exptl_crystal_density_diffrn 3.725 _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 0.00023 0.03036 0.14794 0.00760 Mn2 0.00154 0.12666 0.44508 0.00790 Mn3 0.01613 0.20466 0.72987 0.00780 Mn4 0.05931 0.26420 0.02365 0.01070 Mn5 0.99566 0.35591 0.30576 0.01310 Si1 0.20470 0.45070 0.91110 0.00680 Si2 0.21210 0.36720 0.65390 0.00610 Si3 0.21740 0.58020 0.52970 0.00620 Si4 0.21500 0.50680 0.26130 0.00620 Si5 0.20560 0.70130 0.12510 0.00660 OA1 0.12820 0.07060 0.04060 0.00930 OA2 0.12010 0.15760 0.32250 0.00870 OA3 0.11430 0.92230 0.43620 0.00840 OA4 0.11810 0.01320 0.73180 0.00950 OA5 0.13000 0.79060 0.85360 0.00910 OA6 0.09920 0.83260 0.13110 0.00920 OB1 0.12850 0.32260 0.90220 0.01080 OB2 0.12430 0.23650 0.61070 0.01110 OB3 0.13030 0.71180 0.58930 0.01320 OB4 0.12830 0.38100 0.18390 0.01270 OC1 0.16940 0.46950 0.77770 0.00910 OC2 0.15900 0.45910 0.56340 0.01150 OC3 0.16620 0.53820 0.38690 0.00980 OC4 0.15940 0.64150 0.22000 0.00940 OC5 0.14640 0.59330 0.99540 0.00880 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 0.00970 0.00690 0.00780 0.00350 0.00360 0.00010 Mn2 0.00940 0.00890 0.00670 0.00310 0.00300 -0.00020 Mn3 0.00980 0.00780 0.00710 0.00290 0.00380 0.00000 Mn4 0.01770 0.00840 0.00570 0.00280 0.00040 -0.00140 Mn5 0.01240 0.01540 0.01660 0.00940 0.00660 -0.00040 Si1 0.00750 0.00850 0.00510 0.00220 0.00250 -0.00050 Si2 0.00740 0.00640 0.00620 0.00290 0.00310 -0.00030 Si3 0.00720 0.00790 0.00420 0.00260 0.00200 0.00010 Si4 0.00710 0.00810 0.00460 0.00290 0.00190 -0.00050 Si5 0.00800 0.00760 0.00540 0.00280 0.00270 0.00030 OA1 0.00860 0.01190 0.00870 0.00450 0.00120 -0.00200 OA2 0.00740 0.01050 0.00840 0.00310 0.00170 -0.00020 OA3 0.00660 0.00940 0.01110 0.00510 0.00270 -0.00070 OA4 0.00770 0.01240 0.01140 0.00760 0.00250 -0.00020 OA5 0.00910 0.00940 0.00930 0.00350 0.00380 0.00230 OA6 0.00840 0.00700 0.01330 0.00420 0.00320 0.00080 OB1 0.01220 0.01140 0.01070 0.00490 0.00260 -0.00320 OB2 0.01500 0.01020 0.00880 0.00210 0.00280 -0.00470 OB3 0.01280 0.01120 0.01240 -0.00030 0.00410 0.00300 OB4 0.01520 0.01300 0.00850 0.00130 0.00140 -0.00320 OC1 0.01200 0.01200 0.00470 0.00300 0.00450 0.00030 OC2 0.01010 0.01810 0.01200 0.01160 0.00300 -0.00070 OC3 0.01020 0.01550 0.00590 0.00460 0.00380 -0.00110 OC4 0.00960 0.01180 0.01020 0.00750 0.00520 0.00330 OC5 0.01050 0.00940 0.00630 0.00170 0.00340 0.00130