data_global _chemical_name_mineral 'Pyrochlore' loop_ _publ_author_name 'Bonazzi P' 'Bindi L' 'Zoppi M' 'Capitani G C' 'Olmi F' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 794 _journal_page_last 801 _publ_section_title ; Single-crystal diffraction and transmission electron microscopy studies of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland Sample: 396a ; _database_code_amcsd 0004144 _chemical_compound_source 'Narssarssk, Julianehaab district, Greenland' _chemical_formula_sum 'Na.37 K.02 Ca.73 Sr.07 Mn.04 Pb.01 La.01 Ce.03 Nd.01 U.02 (Nb1.72 Ta.02 Ti.16 Si.07 Fe.03) O6.38 F.62 H1.352' _cell_length_a 10.4200 _cell_length_b 10.4200 _cell_length_c 10.4200 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1131.366 _exptl_crystal_density_diffrn 4.118 _symmetry_space_group_name_H-M 'F d -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' '3/4+z,1/2-x,1/4+y' '3/4+z,-x,3/4+y' '1/4+z,1/2-x,3/4+y' '1/4+z,-x,1/4+y' '3/4-y,1/2+z,1/4-x' '3/4-y,+z,3/4-x' '1/4-y,1/2+z,3/4-x' '1/4-y,+z,1/4-x' '3/4+x,1/2-y,1/4+z' '3/4+x,-y,3/4+z' '1/4+x,1/2-y,3/4+z' '1/4+x,-y,1/4+z' '3/4-z,1/2+x,1/4-y' '3/4-z,+x,3/4-y' '1/4-z,1/2+x,3/4-y' '1/4-z,+x,1/4-y' '3/4+y,1/2-z,1/4+x' '3/4+y,-z,3/4+x' '1/4+y,1/2-z,3/4+x' '1/4+y,-z,1/4+x' '3/4-x,1/2+y,1/4-z' '3/4-x,+y,3/4-z' '1/4-x,1/2+y,3/4-z' '1/4-x,+y,1/4-z' '1/2+x,3/4-z,1/4-y' '1/2+x,1/4-z,3/4-y' '+x,3/4-z,3/4-y' '+x,1/4-z,1/4-y' '1/2-z,3/4+y,1/4+x' '1/2-z,1/4+y,3/4+x' '-z,3/4+y,3/4+x' '-z,1/4+y,1/4+x' '1/2+y,3/4-x,1/4-z' '1/2+y,1/4-x,3/4-z' '+y,3/4-x,3/4-z' '+y,1/4-x,1/4-z' '1/2-x,3/4+z,1/4+y' '1/2-x,1/4+z,3/4+y' '-x,3/4+z,3/4+y' '-x,1/4+z,1/4+y' '1/2+z,3/4-y,1/4-x' '1/2+z,1/4-y,3/4-x' '+z,3/4-y,3/4-x' '+z,1/4-y,1/4-x' '1/2-y,3/4+x,1/4+z' '1/2-y,1/4+x,3/4+z' '-y,3/4+x,3/4+z' '-y,1/4+x,1/4+z' 'x,1/2+z,1/2+y' 'x,+z,+y' '1/2+x,1/2+z,+y' '1/2+x,+z,1/2+y' '-z,1/2-y,1/2-x' '-z,-y,-x' '1/2-z,1/2-y,-x' '1/2-z,-y,1/2-x' 'y,1/2+x,1/2+z' 'y,+x,+z' '1/2+y,1/2+x,+z' '1/2+y,+x,1/2+z' '-x,1/2-z,1/2-y' '-x,-z,-y' '1/2-x,1/2-z,-y' '1/2-x,-z,1/2-y' 'z,1/2+y,1/2+x' 'z,+y,+x' '1/2+z,1/2+y,+x' '1/2+z,+y,1/2+x' '-y,1/2-x,1/2-z' '-y,-x,-z' '1/2-y,1/2-x,-z' '1/2-y,-x,1/2-z' '3/4+z,1/4+x,1/2-y' '3/4+z,3/4+x,-y' '1/4+z,1/4+x,-y' '1/4+z,3/4+x,1/2-y' '3/4-y,1/4-z,1/2+x' '3/4-y,3/4-z,+x' '1/4-y,1/4-z,+x' '1/4-y,3/4-z,1/2+x' '3/4+x,1/4+y,1/2-z' '3/4+x,3/4+y,-z' '1/4+x,1/4+y,-z' '1/4+x,3/4+y,1/2-z' '3/4-z,1/4-x,1/2+y' '3/4-z,3/4-x,+y' '1/4-z,1/4-x,+y' '1/4-z,3/4-x,1/2+y' '3/4+y,1/4+z,1/2-x' '3/4+y,3/4+z,-x' '1/4+y,1/4+z,-x' '1/4+y,3/4+z,1/2-x' '3/4-x,1/4-y,1/2+z' '3/4-x,3/4-y,+z' '1/4-x,1/4-y,+z' '1/4-x,3/4-y,1/2+z' '-z,3/4+x,3/4+y' '-z,1/4+x,1/4+y' '1/2-z,3/4+x,1/4+y' '1/2-z,1/4+x,3/4+y' 'y,3/4-z,3/4-x' 'y,1/4-z,1/4-x' '1/2+y,3/4-z,1/4-x' '1/2+y,1/4-z,3/4-x' '-x,3/4+y,3/4+z' '-x,1/4+y,1/4+z' '1/2-x,3/4+y,1/4+z' '1/2-x,1/4+y,3/4+z' 'z,3/4-x,3/4-y' 'z,1/4-x,1/4-y' '1/2+z,3/4-x,1/4-y' '1/2+z,1/4-x,3/4-y' '-y,3/4+z,3/4+x' '-y,1/4+z,1/4+x' '1/2-y,3/4+z,1/4+x' '1/2-y,1/4+z,3/4+x' 'x,3/4-y,3/4-z' 'x,1/4-y,1/4-z' '1/2+x,3/4-y,1/4-z' '1/2+x,1/4-y,3/4-z' '1/4-x,1/2+z,3/4-y' '1/4-x,+z,1/4-y' '3/4-x,1/2+z,1/4-y' '3/4-x,+z,3/4-y' '1/4+z,1/2-y,3/4+x' '1/4+z,-y,1/4+x' '3/4+z,1/2-y,1/4+x' '3/4+z,-y,3/4+x' '1/4-y,1/2+x,3/4-z' '1/4-y,+x,1/4-z' '3/4-y,1/2+x,1/4-z' '3/4-y,+x,3/4-z' '1/4+x,1/2-z,3/4+y' '1/4+x,-z,1/4+y' '3/4+x,1/2-z,1/4+y' '3/4+x,-z,3/4+y' '1/4-z,1/2+y,3/4-x' '1/4-z,+y,1/4-x' '3/4-z,1/2+y,1/4-x' '3/4-z,+y,3/4-x' '1/4+y,1/2-x,3/4+z' '1/4+y,-x,1/4+z' '3/4+y,1/2-x,1/4+z' '3/4+y,-x,3/4+z' '3/4-x,3/4-z,y' '3/4-x,1/4-z,1/2+y' '1/4-x,3/4-z,1/2+y' '1/4-x,1/4-z,y' '3/4+z,3/4+y,-x' '3/4+z,1/4+y,1/2-x' '1/4+z,3/4+y,1/2-x' '1/4+z,1/4+y,-x' '3/4-y,3/4-x,z' '3/4-y,1/4-x,1/2+z' '1/4-y,3/4-x,1/2+z' '1/4-y,1/4-x,z' '3/4+x,3/4+z,-y' '3/4+x,1/4+z,1/2-y' '1/4+x,3/4+z,1/2-y' '1/4+x,1/4+z,-y' '3/4-z,3/4-y,x' '3/4-z,1/4-y,1/2+x' '1/4-z,3/4-y,1/2+x' '1/4-z,1/4-y,x' '3/4+y,3/4+x,-z' '3/4+y,1/4+x,1/2-z' '1/4+y,3/4+x,1/2-z' '1/4+y,1/4+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' 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 Na 0.50000 0.50000 0.50000 0.18500 0.02400 K 0.50000 0.50000 0.50000 0.01000 0.02400 Ca 0.50000 0.50000 0.50000 0.36500 0.02400 Sr 0.50000 0.50000 0.50000 0.03500 0.02400 Mn 0.50000 0.50000 0.50000 0.02000 0.02400 Pb 0.50000 0.50000 0.50000 0.00500 0.02400 La 0.50000 0.50000 0.50000 0.00500 0.02400 Ce 0.50000 0.50000 0.50000 0.01500 0.02400 Nd 0.50000 0.50000 0.50000 0.00500 0.02400 U 0.50000 0.50000 0.50000 0.01000 0.02400 Nb 0.00000 0.00000 0.00000 0.86000 0.01980 Ta 0.00000 0.00000 0.00000 0.01000 0.01980 Ti 0.00000 0.00000 0.00000 0.08000 0.01980 Si 0.00000 0.00000 0.00000 0.03500 0.01980 Fe 0.00000 0.00000 0.00000 0.01500 0.01980 O 0.31750 0.12500 0.12500 0.83800 0.02280 O-H 0.31750 0.12500 0.12500 0.16200 0.02280 F 0.37500 0.37500 0.37500 0.62000 0.04400 O-H 0.37500 0.37500 0.37500 0.38000 0.04400 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 Na 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 K 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 Ca 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 Sr 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 Mn 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 Pb 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 La 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 Ce 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 Nd 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 U 0.02400 0.02400 0.02400 0.00110 0.00110 0.00110 Nb 0.01980 0.01980 0.01980 -0.00180 -0.00180 -0.00180 Ta 0.01980 0.01980 0.01980 -0.00180 -0.00180 -0.00180 Ti 0.01980 0.01980 0.01980 -0.00180 -0.00180 -0.00180 Si 0.01980 0.01980 0.01980 -0.00180 -0.00180 -0.00180 Fe 0.01980 0.01980 0.01980 -0.00180 -0.00180 -0.00180 O 0.02700 0.02100 0.02100 0.00000 0.00000 0.00800 O-H 0.02700 0.02100 0.02100 0.00000 0.00000 0.00800 F 0.04400 0.04400 0.04400 0.00000 0.00000 0.00000 O-H 0.04400 0.04400 0.04400 0.00000 0.00000 0.00000