data_global _chemical_name_mineral 'Murataite-(Y)' loop_ _publ_author_name 'Ercit T S' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 1223 _journal_page_last 1229 _publ_section_title ; Murataite, a UB12 derivative structure with condensed Keggin molecules ; _database_code_amcsd 0005476 _chemical_formula_sum 'Y2.22 Dy.3 Ho.12 Er.3 Tm.06 Yb.3 Lu.06 Na4.06 Ca.36 Mn.18 Ti9.56 Nb1.56 Zn2.81 Fe Si.11 O32.34 F8' _cell_length_a 14.886 _cell_length_b 14.886 _cell_length_c 14.886 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3298.633 _exptl_crystal_density_diffrn 4.070 _symmetry_space_group_name_H-M 'F -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '-z,x,-y' '-z,1/2+x,1/2-y' '1/2-z,x,1/2-y' '1/2-z,1/2+x,-y' '-y,z,-x' '-y,1/2+z,1/2-x' '1/2-y,z,1/2-x' '1/2-y,1/2+z,-x' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' 'x,-z,-y' 'x,1/2-z,1/2-y' '1/2+x,-z,1/2-y' '1/2+x,1/2-z,-y' 'z,-y,-x' 'z,1/2-y,1/2-x' '1/2+z,-y,1/2-x' '1/2+z,1/2-y,-x' 'y,-x,-z' 'y,1/2-x,1/2-z' '1/2+y,-x,1/2-z' '1/2+y,1/2-x,-z' 'x,z,y' 'x,1/2+z,1/2+y' '1/2+x,z,1/2+y' '1/2+x,1/2+z,y' 'z,y,x' 'z,1/2+y,1/2+x' '1/2+z,y,1/2+x' '1/2+z,1/2+y,x' 'y,x,z' 'y,1/2+x,1/2+z' '1/2+y,x,1/2+z' '1/2+y,1/2+x,z' '-z,-x,y' '-z,1/2-x,1/2+y' '1/2-z,-x,1/2+y' '1/2-z,1/2-x,y' '-y,-z,x' '-y,1/2-z,1/2+x' '1/2-y,-z,1/2+x' '1/2-y,1/2-z,x' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' 'z,-x,-y' 'z,1/2-x,1/2-y' '1/2+z,-x,1/2-y' '1/2+z,1/2-x,-y' 'y,-z,-x' 'y,1/2-z,1/2-x' '1/2+y,-z,1/2-x' '1/2+y,1/2-z,-x' 'x,-y,-z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,z,-y' '-x,1/2+z,1/2-y' '1/2-x,z,1/2-y' '1/2-x,1/2+z,-y' '-z,y,-x' '-z,1/2+y,1/2-x' '1/2-z,y,1/2-x' '1/2-z,1/2+y,-x' '-y,x,-z' '-y,1/2+x,1/2-z' '1/2-y,x,1/2-z' '1/2-y,1/2+x,-z' '-x,-z,y' '-x,1/2-z,1/2+y' '1/2-x,-z,1/2+y' '1/2-x,1/2-z,y' '-z,-y,x' '-z,1/2-y,1/2+x' '1/2-z,-y,1/2+x' '1/2-z,1/2-y,x' '-y,-x,z' '-y,1/2-x,1/2+z' '1/2-y,-x,1/2+z' '1/2-y,1/2-x,z' 'z,x,y' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' 'y,z,x' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+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 YX 0.18120 0.00000 0.00000 0.37000 ? DyX 0.18120 0.00000 0.00000 0.05000 ? HoX 0.18120 0.00000 0.00000 0.02000 ? ErX 0.18120 0.00000 0.00000 0.05000 ? TmX 0.18120 0.00000 0.00000 0.01000 ? YbX 0.18120 0.00000 0.00000 0.05000 ? LuX 0.18120 0.00000 0.00000 0.01000 ? NaX 0.18120 0.00000 0.00000 0.35000 ? CaX 0.18120 0.00000 0.00000 0.06000 ? MnX 0.18120 0.00000 0.00000 0.03000 ? TiM1 0.16290 0.16290 0.50870 0.76000 ? NbM1 0.16290 0.16290 0.50870 0.13000 ? NaM1 0.16290 0.16290 0.50870 0.11000 ? ZnM2 -0.17220 -0.17220 -0.17220 0.48000 ? FeM2 -0.17220 -0.17220 -0.17220 0.25000 ? NaM2 -0.17220 -0.17220 -0.17220 0.16000 ? TiM2 -0.17220 -0.17220 -0.17220 0.11000 ? ZnT 0.50000 0.50000 0.50000 0.89000 0.01350 SiT 0.50000 0.50000 0.50000 0.11000 0.01350 O1 0.29760 0.07290 0.07290 1.00000 0.00850 O2 0.39620 0.39620 0.74200 0.82000 0.01000 O3 0.57380 0.57380 0.57380 1.00000 0.00560 O4 0.25000 0.25000 0.76700 0.08333 0.01000 O5 0.01500 0.25000 0.25000 0.70000 0.01320 F5 0.01500 0.25000 0.25000 0.30000 0.01320 O6 -0.07900 -0.07900 -0.07900 0.45000 0.01160 F6 -0.07900 -0.07900 -0.07900 0.55000 0.01160 F 0.10600 0.10600 0.08500 0.33333 0.01000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 YX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 DyX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 HoX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 ErX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 TmX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 YbX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 LuX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 NaX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 CaX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 MnX 0.00640 0.00790 0.00790 0.00000 0.00000 0.00110 TiM1 0.00720 0.00720 0.00950 -0.00010 -0.00140 -0.00140 NbM1 0.00720 0.00720 0.00950 -0.00010 -0.00140 -0.00140 NaM1 0.00720 0.00720 0.00950 -0.00010 -0.00140 -0.00140 ZnM2 0.00650 0.00650 0.00650 0.00200 0.00200 0.00200 FeM2 0.00650 0.00650 0.00650 0.00200 0.00200 0.00200 NaM2 0.00650 0.00650 0.00650 0.00200 0.00200 0.00200 TiM2 0.00650 0.00650 0.00650 0.00200 0.00200 0.00200