data_global _chemical_name_mineral 'Ingersonite' loop_ _publ_author_name 'Zanazzi P F' 'Chelazzi L' 'Bonazzi P' 'Bindi L' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 352 _journal_page_last 358 _publ_section_title ; High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: An in-situ single-crystal X-ray study Note: P = 5.41 GPa ; _database_code_amcsd 0004851 _chemical_compound_source 'Langban mine, Varmland, Sweden' _chemical_formula_sum 'Sb3.96 Mg.12 Ca2.8 Mn1.12 O14' _cell_length_a 7.204 _cell_length_b 7.204 _cell_length_c 17.450 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 784.284 _exptl_crystal_density_diffrn 5.607 _symmetry_space_group_name_H-M 'P 31 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '-y,x-y,1/3+z' '-x,-x+y,1/3-z' '-x+y,-x,2/3+z' 'x-y,-y,2/3-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 SbB1 0.31700 0.00000 0.33333 1.00000 0.01800 SbB2 0.32790 0.00000 0.83333 0.96000 0.01420 MgB2 0.32790 0.00000 0.83333 0.04000 0.01420 SbB3 0.33680 0.50060 0.83600 0.96000 0.01320 MgB3 0.33680 0.50060 0.83600 0.04000 0.01320 CaA1 0.00000 0.83200 0.66667 0.92000 0.00700 MnA1 0.00000 0.83200 0.66667 0.08000 0.00700 MnA2 0.82900 0.00000 0.83333 0.92000 0.01900 SbA2 0.82900 0.00000 0.83333 0.08000 0.01900 CaA3 0.48700 0.34400 0.66520 0.94000 0.01000 MnA3 0.48700 0.34400 0.66520 0.06000 0.01000 O1 0.20100 0.21200 0.15100 1.00000 0.01200 O2 0.56500 0.60500 0.19300 1.00000 0.03400 O3 0.18800 0.62800 0.16100 1.00000 0.02700 O4 -0.02400 0.32200 0.04800 1.00000 0.03700 O5 -0.04400 0.81100 0.06200 1.00000 0.03000 O6 0.54000 0.39900 0.04100 1.00000 0.00500 O7 0.53700 0.80100 0.06800 1.00000 0.03100