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 = 4.23 GPa ; _database_code_amcsd 0004850 _chemical_compound_source 'Langban mine, Varmland, Sweden' _chemical_formula_sum 'Sb3.96 Mg.12 Ca2.8 Mn1.12 O14' _cell_length_a 7.218 _cell_length_b 7.218 _cell_length_c 17.510 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 790.043 _exptl_crystal_density_diffrn 5.566 _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 0.31850 1.00000 0.33333 1.00000 0.01600 SbB2 0.32710 0.00000 0.83333 0.96000 0.01300 MgB2 0.32710 0.00000 0.83333 0.04000 0.01300 SbB3 0.33620 0.50350 0.83510 0.96000 0.01400 MgB3 0.33620 0.50350 0.83510 0.04000 0.01400 CaA1 0.00000 0.83900 0.66667 0.92000 0.01400 MnA1 0.00000 0.83900 0.66667 0.08000 0.01400 MnA2 0.83400 0.00000 0.83333 0.92000 0.03000 SbA2 0.83400 0.00000 0.83333 0.08000 0.03000 CaA3 0.48700 0.34200 0.66200 0.94000 0.02300 MnA3 0.48700 0.34200 0.66200 0.06000 0.02300 O1 0.19900 0.22000 0.15100 1.00000 0.02700 O2 0.55300 0.60400 0.19700 1.00000 0.01900 O3 0.19100 0.63400 0.16400 1.00000 0.06000 O4 -0.03000 0.31700 0.05300 1.00000 0.02600 O5 -0.04800 0.79700 0.06500 1.00000 0.03300 O6 0.52700 0.40100 0.05300 1.00000 0.00800 O7 0.55300 0.82500 0.06500 1.00000 0.01800