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: 15-4026 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions ; _database_code_amcsd 0003777 _chemical_formula_sum 'Mn5 Si5 O15' _cell_length_a 9.7902 _cell_length_b 10.5184 _cell_length_c 12.2230 _cell_angle_alpha 108.644 _cell_angle_beta 103.159 _cell_angle_gamma 82.308 _cell_volume 1158.776 _exptl_crystal_density_diffrn 3.755 _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 -0.00030 0.02950 0.14790 0.00830 Mn2 0.00120 0.12770 0.44500 0.00840 Mn3 0.01670 0.20390 0.73020 0.00730 Mn4 0.06030 0.26440 0.02520 0.01020 Mn5 0.99440 0.34830 0.30080 0.01490 Si1 0.20490 0.45070 0.91120 0.00700 Si2 0.21250 0.36620 0.65440 0.00660 Si3 0.21580 0.57910 0.53060 0.00700 Si4 0.21300 0.50720 0.26300 0.00680 Si5 0.20450 0.70040 0.12470 0.00670 OA1 0.12720 0.06940 0.04000 0.00950 OA2 0.11890 0.15840 0.32110 0.00790 OA3 0.11440 0.92150 0.43580 0.00780 OA4 0.11960 0.01340 0.73120 0.00870 OA5 0.12980 0.79120 0.85390 0.01040 OA6 0.09920 0.83260 0.13160 0.01110 OB1 0.12870 0.32140 0.90250 0.01160 OB2 0.12410 0.23470 0.61100 0.00880 OB3 0.12690 0.70880 0.59250 0.01510 OB4 0.12370 0.37980 0.18770 0.01300 OC1 0.16930 0.46810 0.77810 0.00940 OC2 0.16100 0.45460 0.56270 0.01430 OC3 0.16520 0.54170 0.38900 0.01130 OC4 0.15690 0.64110 0.21950 0.00950 OC5 0.14540 0.59300 0.99520 0.00980 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 0.00440 0.01250 0.00230 0.00410 0.00160 Mn2 0.00720 0.00670 0.01080 0.00180 0.00300 0.00100 Mn3 0.00750 0.00440 0.00990 0.00120 0.00430 0.00150 Mn4 0.01390 0.00540 0.00940 0.00150 -0.00010 -0.00050 Mn5 0.01070 0.01570 0.02430 0.01180 0.00850 0.00190 Si1 0.00530 0.00400 0.01150 0.00120 0.00400 0.00190 Si2 0.00530 0.00310 0.01120 0.00080 0.00360 0.00020 Si3 0.00590 0.00520 0.00920 0.00140 0.00240 0.00160 Si4 0.00610 0.00610 0.00760 0.00170 0.00150 0.00060 Si5 0.00560 0.00360 0.01060 0.00160 0.00400 0.00290 OA1 0.00700 0.00600 0.01400 0.00200 0.00400 0.00230 OA2 0.01000 0.00600 0.00800 -0.00030 0.00570 -0.00150 OA3 0.00600 0.00500 0.00900 -0.00260 0.00090 0.00140 OA4 0.00300 0.00300 0.01900 0.00300 0.00400 0.00400 OA5 0.00800 0.00600 0.01400 0.00000 0.00400 0.00120 OA6 0.01000 0.00400 0.01900 0.00100 0.00600 0.00170 OB1 0.01300 0.00700 0.01600 0.00200 0.00500 -0.00200 OB2 0.00800 0.01000 0.01000 0.00500 0.00190 0.00070 OB3 0.01300 0.01100 0.01400 -0.00200 0.00000 0.00500 OB4 0.01100 0.00900 0.01700 0.00100 0.00100 -0.00200 OC1 0.01100 0.00700 0.00800 -0.00220 0.00500 0.00200 OC2 0.00800 0.02100 0.02000 0.01500 -0.00100 -0.00300 OC3 0.01000 0.01600 0.01000 0.00600 0.00400 0.00100 OC4 0.01000 0.00900 0.01100 0.00400 0.00440 0.00400 OC5 0.00800 0.00600 0.01100 -0.00260 0.00180 0.00010