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 = 3.57 GPa ; _database_code_amcsd 0004772 _chemical_compound_source 'Yokone-Yama, Awano Town, Tochigi Prefecture, Japan' _chemical_formula_sum 'Mn6.405 Fe.015 Mg.58 Si7 O21' _cell_length_a 9.57 _cell_length_b 10.32 _cell_length_c 17.16 _cell_angle_alpha 112.1 _cell_angle_beta 103.2 _cell_angle_gamma 82.9 _cell_volume 1527.424 _exptl_crystal_density_diffrn 3.911 _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 0.00100 0.04470 0.10600 0.98500 0.00800 FeM1 0.00100 0.04470 0.10600 0.01500 0.00800 MnM2 0.00200 0.16640 0.31170 0.89900 0.00890 MgM2 0.00200 0.16640 0.31170 0.10100 0.00890 MnM3 -0.00160 0.06430 0.60400 0.91700 0.00880 MgM3 -0.00160 0.06430 0.60400 0.08300 0.00880 MnM4 0.01040 0.17660 0.80570 0.93200 0.01030 MgM4 0.01040 0.17660 0.80570 0.06800 0.01030 MnM5 0.00560 0.27410 0.51220 0.94200 0.01340 MgM5 0.00560 0.27410 0.51220 0.05800 0.01340 MnM6 0.06470 0.26120 0.01590 0.80700 0.01310 MgM6 0.06470 0.26120 0.01590 0.19300 0.01310 MnM7 -0.00470 0.37470 0.21090 0.92300 0.01340 MgM7 -0.00470 0.37470 0.21090 0.07700 0.01340 Si1 0.19810 0.44300 0.93410 1.00000 0.00900 Si2 0.20780 0.32950 0.74940 1.00000 0.00700 Si3 0.20770 0.53320 0.66130 1.00000 0.00700 Si4 0.20630 0.42460 0.46770 1.00000 0.00900 Si5 0.21020 0.63550 0.38060 1.00000 0.00700 Si6 0.21190 0.53010 0.18930 1.00000 0.01100 Si7 0.20580 0.71320 0.08840 1.00000 0.00900 O1 0.12900 0.07100 0.02750 1.00000 0.00500 O2 0.12200 0.18700 0.22640 1.00000 0.01000 O3 0.12200 0.96300 0.31070 1.00000 0.01000 O4 0.11700 0.08800 0.51730 1.00000 0.01500 O5 0.11800 0.87300 0.60510 1.00000 0.01500 O6 0.11800 0.98800 0.80660 1.00000 0.01300 O7 0.12400 0.77700 0.90030 1.00000 0.01200 O8 0.10300 0.85000 0.09340 1.00000 0.00900 O9 0.12600 0.30900 0.92790 1.00000 0.02000 O10 0.12300 0.19200 0.72150 1.00000 0.01300 O11 0.11400 0.66600 0.71300 1.00000 0.01400 O12 0.12400 0.28500 0.42730 1.00000 0.01100 O13 0.13300 0.77900 0.42210 1.00000 0.01500 O14 0.12600 0.39300 0.13130 1.00000 0.01000 O15 0.16200 0.45100 0.83700 1.00000 0.01200 O16 0.15300 0.40000 0.67500 1.00000 0.01400 O17 0.15200 0.50300 0.56040 1.00000 0.01200 O18 0.14400 0.52600 0.41210 1.00000 0.01400 O19 0.15100 0.57200 0.27610 1.00000 0.00900 O20 0.16100 0.66500 0.15980 1.00000 0.01500 O21 0.14100 0.59600 0.99660 1.00000 0.01000