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