data_global _chemical_name_mineral 'Magnesio-arfvedsonite' loop_ _publ_author_name 'Ghose S' 'Kersten M' 'Langer K' 'Rossi G' 'Ungaretti L' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 13 _journal_year 1986 _journal_page_first 291 _journal_page_last 305 _publ_section_title ; Crystal field spectra and Jahn Teller effect of Mn3+ in clinopyroxene and clinoamphiboles from India Note: designated as juddite in the paper ; _database_code_amcsd 0007427 _chemical_formula_sum 'Na1.8 K.31 Mg3.49 Fe.77 Ti.1 Al.15 Mn.4 Li.18 Ca.28 Si7.9 O24 H2' _cell_length_a 9.7624 _cell_length_b 17.9136 _cell_length_c 5.2874 _cell_angle_alpha 90 _cell_angle_beta 103.837 _cell_angle_gamma 90 _cell_volume 897.826 _exptl_crystal_density_diffrn 3.079 _symmetry_space_group_name_H-M 'C 1 2/m 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' '-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 NaA2 0.00000 0.50000 0.00000 0.04000 0.05053 KA2 0.00000 0.50000 0.00000 0.15500 0.05053 NaAM 0.04430 0.50000 0.09960 0.02000 0.03166 KAM 0.04430 0.50000 0.09960 0.07750 0.03166 MgM1 0.00000 0.08699 0.50000 0.87500 0.00849 FeM1 0.00000 0.08699 0.50000 0.04500 0.00849 TiM1 0.00000 0.08699 0.50000 0.05000 0.00849 AlM1 0.00000 0.08699 0.50000 0.03000 0.00849 MgM2 0.00000 0.18053 0.00000 0.46000 0.00646 MnM2 0.00000 0.18053 0.00000 0.20000 0.00646 FeM2 0.00000 0.18053 0.00000 0.34000 0.00646 MgM3 0.00000 0.00000 0.00000 0.82000 0.00671 LiM3 0.00000 0.00000 0.00000 0.18000 0.00671 CaM4 0.00000 0.27410 0.50000 0.07000 0.01381 NaM4 0.00000 0.27410 0.50000 0.43000 0.01381 CaM4* 0.00000 0.24890 0.50000 0.07000 0.00874 NaM4* 0.00000 0.24890 0.50000 0.43000 0.00874 SiT1 0.28078 0.08552 0.29162 0.98750 0.00532 AlT1 0.28078 0.08552 0.29162 0.01120 0.00532 SiT2 0.28930 0.17117 0.79927 0.98750 0.00557 AlT2 0.28930 0.17117 0.79927 0.01120 0.00557 O1 0.11125 0.08788 0.21377 1.00000 0.00709 O2 0.11866 0.16982 0.72919 1.00000 0.00823 O3 0.10876 0.00000 0.70755 1.00000 0.00760 O4 0.36438 0.24974 0.79558 1.00000 0.01153 O5 0.34879 0.13003 0.08367 1.00000 0.00975 O6 0.34302 0.11947 0.58097 1.00000 0.01001 O7 0.33709 0.00000 0.29434 1.00000 0.01127 H 0.16040 0.00000 0.73690 1.00000 0.04901