data_global _chemical_name_mineral 'Metanatroautunite' loop_ _publ_author_name 'Mills S J' 'Kampf A R' 'Birch W D' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 735 _journal_page_last 738 _publ_section_title ; The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, from the Lake Boga Granite, Victoria, Australia Note: z-coordinate of U changed from .40959 to match reported bond lengths ; _database_code_amcsd 0018862 _chemical_compound_source 'Lake Boga Granite, Victoria, Australia' _chemical_formula_sum 'U P O9 (Na H6)' _cell_length_a 6.9935 _cell_length_b 6.9935 _cell_length_c 17.5101 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 856.402 _exptl_crystal_density_diffrn 3.428 _symmetry_space_group_name_H-M 'P 4/n c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-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 U 0.25000 0.25000 0.04959 1.00000 0.01970 P 0.75000 0.25000 0.00000 1.00000 0.01870 O1 0.25000 0.25000 0.15080 1.00000 0.03400 O2 0.25000 0.25000 0.94680 1.00000 0.03300 O3 0.71910 0.07600 0.44780 1.00000 0.03440 Na4 0.17300 0.98800 0.31100 0.25000 0.14300 Wat4 0.17300 0.98800 0.31100 0.75000 0.14300 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 U 0.01450 0.01450 0.03000 0.00000 0.00000 0.00000 P 0.00920 0.00920 0.03770 0.00000 0.00000 0.00000 O1 0.03100 0.03100 0.04000 0.00000 0.00000 0.00000 O2 0.03000 0.03000 0.03700 0.00000 0.00000 0.00000 O3 0.04300 0.01200 0.04700 -0.00300 -0.00300 0.00000