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: 15-4031 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions ; _database_code_amcsd 0003779 _chemical_formula_sum 'Mn5 Si5 O15' _cell_length_a 9.8121 _cell_length_b 10.5187 _cell_length_c 12.2180 _cell_angle_alpha 108.651 _cell_angle_beta 103.217 _cell_angle_gamma 82.308 _cell_volume 1160.630 _exptl_crystal_density_diffrn 3.749 _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 0.00026 0.03004 0.14802 0.00630 Mn2 0.00127 0.12716 0.44510 0.00640 Mn3 0.01627 0.20448 0.73016 0.00640 Mn4 0.05944 0.26430 0.02431 0.00960 Mn5 0.99553 0.35280 0.30368 0.01370 Si1 0.20440 0.45040 0.91130 0.00500 Si2 0.21210 0.36640 0.65390 0.00450 Si3 0.21660 0.57950 0.53020 0.00490 Si4 0.21430 0.50670 0.26180 0.00510 Si5 0.20550 0.70090 0.12510 0.00530 OA1 0.12750 0.07080 0.04060 0.00770 OA2 0.11910 0.15750 0.32190 0.00700 OA3 0.11470 0.92150 0.43630 0.00920 OA4 0.11890 0.01300 0.73180 0.00790 OA5 0.12960 0.79000 0.85370 0.00760 OA6 0.09940 0.83320 0.13130 0.00820 OB1 0.12830 0.32190 0.90290 0.01030 OB2 0.12500 0.23590 0.61140 0.00830 OB3 0.12790 0.71040 0.59050 0.01380 OB4 0.12640 0.38070 0.18520 0.01110 OC1 0.16920 0.46950 0.77790 0.00830 OC2 0.15980 0.45750 0.56310 0.01140 OC3 0.16520 0.53910 0.38750 0.01030 OC4 0.15860 0.64130 0.22000 0.00870 OC5 0.14640 0.59300 0.99550 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 0.00770 0.00620 0.00530 0.00170 0.00330 0.00200 Mn2 0.00790 0.00730 0.00400 0.00150 0.00240 0.00160 Mn3 0.00850 0.00610 0.00450 0.00090 0.00350 0.00180 Mn4 0.01610 0.00690 0.00400 0.00100 -0.00030 0.00010 Mn5 0.01220 0.01700 0.01640 0.00910 0.00700 0.00170 Si1 0.00540 0.00560 0.00330 0.00020 0.00180 0.00140 Si2 0.00520 0.00560 0.00290 0.00140 0.00200 0.00110 Si3 0.00570 0.00570 0.00280 0.00090 0.00210 0.00260 Si4 0.00570 0.00740 0.00200 0.00170 0.00160 0.00180 Si5 0.00590 0.00680 0.00310 0.00130 0.00210 0.00190 OA1 0.00650 0.00770 0.00740 0.00100 0.00170 0.00260 OA2 0.00370 0.00910 0.00780 0.00190 0.00280 0.00210 OA3 0.00820 0.00980 0.00790 0.00050 0.00180 -0.00020 OA4 0.00700 0.00910 0.00810 0.00360 0.00250 0.00210 OA5 0.00820 0.00790 0.00560 0.00060 0.00280 0.00200 OA6 0.01030 0.00590 0.00830 0.00120 0.00340 0.00050 OB1 0.01380 0.00740 0.01030 0.00130 0.00520 -0.00120 OB2 0.01120 0.00760 0.00600 0.00090 0.00180 -0.00300 OB3 0.01320 0.01160 0.00990 -0.00250 0.00180 0.00740 OB4 0.01320 0.01000 0.00680 -0.00100 0.00010 -0.00210 OC1 0.01140 0.00870 0.00350 0.00020 0.00350 0.00360 OC2 0.01020 0.01830 0.01000 0.01090 0.00080 -0.00080 OC3 0.01070 0.01770 0.00340 0.00400 0.00300 0.00140 OC4 0.01110 0.01070 0.00600 0.00440 0.00460 0.00320 OC5 0.00990 0.00870 0.00500 -0.00140 0.00270 0.00320