data_global _chemical_name_mineral 'Mathiasite' loop_ _publ_author_name 'Gatehouse B M' 'Grey I E' 'Smyth J R' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 39 _journal_year 1983 _journal_page_first 421 _journal_page_last 422 _publ_section_title ; Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 ; _database_code_amcsd 0009973 _chemical_compound_source 'peridotite nodules, Bultfonten kimblerlite, South Africa' _chemical_formula_sum '(K.62 Na.14 Ba.14 Sr.1) (Zr.7 Ca.3) Mg1.333 Fe2.2 Ti12.9 Cr3.1 V.233 Nb.233 O38' _cell_length_a 9.119 _cell_length_b 9.119 _cell_length_c 9.119 _cell_angle_alpha 69.24 _cell_angle_beta 69.24 _cell_angle_gamma 69.24 _cell_volume 639.924 _exptl_crystal_density_diffrn 4.430 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,-x,-y' 'y,z,x' '-x,-y,-z' 'z,x,y' '-y,-z,-x' 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 KM0 0.00000 0.00000 0.00000 0.62000 0.01570 NaM0 0.00000 0.00000 0.00000 0.14000 0.01570 BaM0 0.00000 0.00000 0.00000 0.14000 0.01570 SrM0 0.00000 0.00000 0.00000 0.10000 0.01570 ZrM1 0.50000 0.50000 0.50000 0.70000 0.00329 CaM1 0.50000 0.50000 0.50000 0.30000 0.00329 MgM2 0.31110 0.31110 0.31110 0.45000 0.00456 FeM2 0.31110 0.31110 0.31110 0.45000 0.00456 TiM3 0.34790 0.12270 0.02320 0.15000 0.00735 CrM3 0.34790 0.12270 0.02320 0.51670 0.00735 FeM3 0.34790 0.12270 0.02320 0.21670 0.00735 VM3 0.34790 0.12270 0.02320 0.03890 0.00735 NbM3 0.34790 0.12270 0.02320 0.03890 0.00735 MgM3 0.34790 0.12270 0.02320 0.03890 0.00735 TiM4 0.30710 0.72080 0.14570 1.00000 0.00481 TiM5 0.47540 0.08320 0.63860 1.00000 0.00481 MgM6 0.36920 0.36920 0.36920 0.10000 0.02824 O1 0.30840 0.62610 0.38200 1.00000 0.00659 O2 0.15530 0.23940 0.93920 1.00000 0.00659 O3 0.92180 0.45830 0.29790 1.00000 0.00659 O4 0.14240 0.51750 0.99020 1.00000 0.00659 O5 0.39010 0.48790 0.13430 1.00000 0.00469 O6 0.70430 0.24340 0.07430 1.00000 0.00532 O7 0.21330 0.21330 0.21330 1.00000 0.00570