data_global _chemical_name_mineral 'Rhodonite' loop_ _publ_author_name 'Peacor D R' 'Essene E J' 'Brown P E' 'Winter G A' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 1137 _journal_page_last 1142 _publ_section_title ; The crystal chemistry and petrogenesis of a magnesian rhodonite ; _database_code_amcsd 0000690 _chemical_formula_sum 'Mn3.54 Mg.86 Ca.6 Si5 O15' _cell_length_a 9.797 _cell_length_b 10.497 _cell_length_c 12.185 _cell_angle_alpha 108.55 _cell_angle_beta 103.02 _cell_angle_gamma 82.49 _cell_volume 1155.084 _exptl_crystal_density_diffrn 3.564 _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_occupancy _atom_site_U_iso_or_equiv Mn1 0.00123 0.03004 0.14764 0.89000 0.00887 Mg1 0.00123 0.03004 0.14764 0.11000 0.00887 Mn2 0.00119 0.12745 0.44535 0.86000 0.00937 Mg2 0.00119 0.12745 0.44535 0.14000 0.00937 Mn3 0.01589 0.20418 0.73086 0.86000 0.00912 Mg3 0.01589 0.20418 0.73086 0.14000 0.00912 Mn4 0.05527 0.26488 0.02469 0.53000 0.01178 Mg4 0.05527 0.26488 0.02469 0.47000 0.01178 Ca5 0.99616 0.35153 0.30258 0.60000 0.01406 Mn5 0.99616 0.35153 0.30258 0.40000 0.01406 Si1 0.20450 0.44870 0.91260 1.00000 0.00912 Si2 0.21210 0.36550 0.65460 1.00000 0.00874 Si3 0.21600 0.57870 0.53020 1.00000 0.00925 Si4 0.21380 0.50610 0.26160 1.00000 0.00937 Si5 0.20690 0.70150 0.12520 1.00000 0.00887 Oa1 0.12760 0.07340 0.03900 1.00000 0.01279 Oa2 0.11920 0.15850 0.32190 1.00000 0.01292 Oa3 0.11510 0.92160 0.43590 1.00000 0.01267 Oa4 0.11850 0.01410 0.73240 1.00000 0.01216 Oa5 0.12740 0.78950 0.85470 1.00000 0.01178 Oa6 0.10050 0.83270 0.13010 1.00000 0.01241 Ob1 0.12690 0.32120 0.90460 1.00000 0.01494 Ob2 0.12450 0.23420 0.61140 1.00000 0.01330 Ob3 0.12730 0.71000 0.59110 1.00000 0.02001 Ob4 0.12540 0.38070 0.18350 1.00000 0.01532 Oc1 0.17010 0.46720 0.77880 1.00000 0.01292 Oc2 0.16020 0.45560 0.56320 1.00000 0.01735 Oc3 0.16490 0.53770 0.38750 1.00000 0.01393 Oc4 0.15950 0.64260 0.22150 1.00000 0.01241 Oc5 0.14650 0.59270 0.99580 1.00000 0.01127