data_global _chemical_name_mineral 'Ershovite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Rekhlova O Y' 'Khomyakov A P' _journal_name_full 'Crystallography Reports' _journal_volume 36 _journal_year 1991 _journal_page_first 500 _journal_page_last 503 _publ_section_title ; Crystal structure of a new natural Na,K,Fe silicate ; _database_code_amcsd 0012339 _chemical_compound_source 'Khibiny massif, Kola peninsula, Russia' _chemical_formula_sum 'K3 Na4 (Fe.9 Mn.7 Ti.4) Si8 O28 H12' _cell_length_a 10.244 _cell_length_b 11.924 _cell_length_c 5.276 _cell_angle_alpha 103.491 _cell_angle_beta 96.960 _cell_angle_gamma 91.945 _cell_volume 620.766 _exptl_crystal_density_diffrn 2.680 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-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 K1 0.55050 0.13660 0.82680 1.00000 0.02419 K2 0.50000 0.50000 0.50000 1.00000 0.03850 Na1 0.97050 0.86480 0.46960 1.00000 0.02356 Na2 0.99550 0.73430 0.88310 1.00000 0.02913 Fe2+M 0.00350 0.42520 0.70390 0.45000 0.01874 MnM 0.00350 0.42520 0.70390 0.35000 0.01874 TiM 0.00350 0.42520 0.70390 0.20000 0.01874 Si1 0.73480 0.27830 0.42240 1.00000 0.01469 Si2 0.71630 0.67260 0.13250 1.00000 0.01469 Si3 0.73430 0.41440 0.98860 1.00000 0.01418 Si4 0.68350 0.80860 0.69820 1.00000 0.01545 O1 0.67450 0.35280 0.68550 1.00000 0.01900 O2 0.89130 0.28680 0.47230 1.00000 0.01900 O3 0.64890 0.72300 0.88970 1.00000 0.02153 O4 0.87150 0.68980 0.17590 1.00000 0.02026 O5 0.89100 0.43200 0.01920 1.00000 0.01900 O6 0.82930 0.86360 0.77160 1.00000 0.02280 O7 0.66370 0.53600 0.05630 1.00000 0.02026 O8 0.64980 0.73080 0.39280 1.00000 0.02026 O9 0.68120 0.33860 0.17950 1.00000 0.01773 O10 0.67070 0.14910 0.35950 1.00000 0.02153 O11 0.57400 0.90530 0.72900 1.00000 0.02153 O12 0.89240 0.54860 0.57810 1.00000 0.02660 O13 0.86240 0.99230 0.26070 1.00000 0.03420 O14 0.85180 0.11330 0.81540 1.00000 0.03546 H1 0.86000 0.94000 0.14000 1.00000 0.01520 H2 0.50000 0.87000 0.68000 1.00000 0.03673 H3 0.81000 0.04000 0.26000 1.00000 0.03293 H4 0.85000 0.03000 0.80000 1.00000 0.04306 H5 0.81000 0.12000 0.66000 1.00000 0.02786 H6 0.83000 0.55000 0.52000 1.00000 0.05446