data_global _chemical_name_mineral 'Pyroxmangite' loop_ _publ_author_name 'Zanazzi P F' 'Nestola F' 'Nazzareni S' 'Comodi P' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1921 _journal_page_last 1928 _publ_section_title ; Pyroxmangite: A high pressure single-crystal study Pressure = 1.24 GPa ; _database_code_amcsd 0004771 _chemical_compound_source 'Yokone-Yama, Awano Town, Tochigi Prefecture, Japan' _chemical_formula_sum 'Mn6.405 Fe.015 Mg.58 Si7 O21' _cell_length_a 9.62 _cell_length_b 10.41 _cell_length_c 17.29 _cell_angle_alpha 112.0 _cell_angle_beta 103.4 _cell_angle_gamma 83.0 _cell_volume 1560.527 _exptl_crystal_density_diffrn 3.828 _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 MnM1 -0.00060 0.04250 0.10530 0.98500 0.00970 FeM1 -0.00060 0.04250 0.10530 0.01500 0.00970 MnM2 -0.00030 0.16670 0.31180 0.89900 0.01060 MgM2 -0.00030 0.16670 0.31180 0.10100 0.01060 MnM3 -0.00110 0.06640 0.60480 0.91700 0.01150 MgM3 -0.00110 0.06640 0.60480 0.08300 0.01150 MnM4 0.01290 0.17710 0.80620 0.93200 0.01220 MgM4 0.01290 0.17710 0.80620 0.06800 0.01220 MnM5 0.00450 0.27260 0.51130 0.94200 0.01690 MgM5 0.00450 0.27260 0.51130 0.05800 0.01690 MnM6 0.06240 0.26130 0.01610 0.80700 0.01120 MgM6 0.06240 0.26130 0.01610 0.19300 0.01120 MnM7 -0.00600 0.37330 0.21100 0.92300 0.01550 MgM7 -0.00600 0.37330 0.21100 0.07700 0.01550 Si1 0.19960 0.44310 0.93570 1.00000 0.01100 Si2 0.20780 0.33310 0.75150 1.00000 0.01000 Si3 0.21180 0.53150 0.66130 1.00000 0.00900 Si4 0.20720 0.42560 0.46930 1.00000 0.01200 Si5 0.21100 0.63210 0.38000 1.00000 0.00800 Si6 0.20970 0.52930 0.18920 1.00000 0.01300 Si7 0.20430 0.71190 0.08910 1.00000 0.00900 O1 0.13200 0.07000 0.02700 1.00000 0.01200 O2 0.11800 0.18800 0.22700 1.00000 0.01400 O3 0.12100 0.96400 0.31100 1.00000 0.00300 O4 0.12300 0.08800 0.51900 1.00000 0.01200 O5 0.12100 0.87200 0.60700 1.00000 0.01800 O6 0.12100 0.98700 0.80600 1.00000 0.01000 O7 0.13200 0.77800 0.89900 1.00000 0.01400 O8 0.09800 0.84700 0.09400 1.00000 0.01400 O9 0.13100 0.30900 0.92700 1.00000 0.01500 O10 0.12200 0.19400 0.72400 1.00000 0.01400 O11 0.11900 0.66500 0.71300 1.00000 0.02200 O12 0.12100 0.28600 0.42700 1.00000 0.01900 O13 0.13500 0.77500 0.42100 1.00000 0.01300 O14 0.12000 0.39200 0.13300 1.00000 0.01300 O15 0.16200 0.45100 0.83800 1.00000 0.01200 O16 0.15600 0.40100 0.67900 1.00000 0.01000 O17 0.15700 0.50000 0.56200 1.00000 0.01900 O18 0.14800 0.52900 0.41600 1.00000 0.01100 O19 0.15200 0.56900 0.27500 1.00000 0.01100 O20 0.15900 0.66200 0.15800 1.00000 0.01600 O21 0.14000 0.59200 0.99600 1.00000 0.00600