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 Note: Pressure = 0.0001 GPa ; _database_code_amcsd 0004770 _chemical_compound_source 'Yokone-Yama, Awano Town, Tochigi Prefecture, Japan' _chemical_formula_sum 'Mn6.405 Fe.015 Mg.58 Si7 O21' _cell_length_a 9.663 _cell_length_b 10.457 _cell_length_c 17.360 _cell_angle_alpha 112.28 _cell_angle_beta 103.13 _cell_angle_gamma 82.88 _cell_volume 1579.369 _exptl_crystal_density_diffrn 3.782 _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 -0.00048 0.04202 0.10506 0.98500 0.00810 FeM1 -0.00048 0.04202 0.10506 0.01500 0.00810 MnM2 -0.00031 0.16645 0.31180 0.89900 0.00840 MgM2 -0.00031 0.16645 0.31180 0.10100 0.00840 MnM3 0.00061 0.06715 0.60493 0.91700 0.00780 MgM3 0.00061 0.06715 0.60493 0.08300 0.00780 MnM4 0.01422 0.17658 0.80618 0.93200 0.00820 MgM4 0.01422 0.17658 0.80618 0.06800 0.00820 MnM5 0.00392 0.27124 0.51005 0.94200 0.01120 MgM5 0.00392 0.27124 0.51005 0.05800 0.01120 MnM6 0.06199 0.26317 0.01728 0.80700 0.01330 MgM6 0.06199 0.26317 0.01728 0.19300 0.01330 MnM7 -0.00696 0.37071 0.21006 0.92300 0.01150 MgM7 -0.00696 0.37071 0.21006 0.07700 0.01150 Si1 0.20201 0.44251 0.93515 1.00000 0.00710 Si2 0.20987 0.33236 0.75112 1.00000 0.00630 Si3 0.21097 0.53298 0.66185 1.00000 0.00660 Si4 0.20778 0.42495 0.46847 1.00000 0.00660 Si5 0.21065 0.63179 0.38004 1.00000 0.00640 Si6 0.20935 0.52897 0.18891 1.00000 0.00670 Si7 0.20369 0.71058 0.08906 1.00000 0.00680 O1 0.12830 0.07280 0.02870 1.00000 0.00960 O2 0.11870 0.18610 0.22670 1.00000 0.00900 O3 0.11790 0.96330 0.31120 1.00000 0.00910 O4 0.12140 0.08960 0.51960 1.00000 0.00920 O5 0.11840 0.87210 0.60570 1.00000 0.00900 O6 0.12090 0.98720 0.80620 1.00000 0.00910 O7 0.12890 0.78000 0.89770 1.00000 0.00960 O8 0.09860 0.84430 0.09380 1.00000 0.00990 O9 0.12840 0.31060 0.92940 1.00000 0.01250 O10 0.12470 0.19620 0.72270 1.00000 0.00960 O11 0.12200 0.66510 0.71170 1.00000 0.01530 O12 0.12280 0.28560 0.42540 1.00000 0.01360 O13 0.13010 0.77580 0.42160 1.00000 0.01260 O14 0.12170 0.39480 0.13180 1.00000 0.01190 O15 0.16540 0.45020 0.83900 1.00000 0.00970 O16 0.15890 0.40320 0.67930 1.00000 0.01340 O17 0.15850 0.49780 0.56040 1.00000 0.01390 O18 0.14990 0.53080 0.41720 1.00000 0.01280 O19 0.15330 0.56720 0.27750 1.00000 0.01160 O20 0.15620 0.66140 0.15920 1.00000 0.00970 O21 0.14290 0.59120 0.99660 1.00000 0.01010