data_global
_chemical_name_mineral 'Metaschoepite'
loop_
_publ_author_name
'Klingensmith A L'
'Deely K M'
'Kinman W S'
'Kelly V'
'Burns P C'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 662
_journal_page_last 669
_publ_section_title
;
 Neptunium incorporation in sodium-substituted metaschoepite
 Locality: Katanga, Congo
 Sample: Natural
;
_chemical_formula_sum 'Na.48 U8 O37.91 H34'
_cell_length_a 14.6801
_cell_length_b 14.0287
_cell_length_c 16.7196
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3443.280
_exptl_crystal_density_diffrn      4.931
_symmetry_space_group_name_H-M 'P b c n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-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
Na21   0.50300   0.67200   0.29500   0.24000   0.04000
U1   0.23381   0.74397   0.37478   1.00000   0.01545
U2   0.28634   0.76845   0.60325   1.00000   0.01605
U3   0.25577   0.51214   0.23933   1.00000   0.01607
U4   0.25591   0.51731   0.51083   1.00000   0.01707
O1   0.17480   0.74060   0.61450   1.00000   0.03500
O2   0.14750   0.46220   0.23200   1.00000   0.03200
O3   0.12060   0.74430   0.41560   1.00000   0.02600
O4   0.40980   0.78470   0.59670   1.00000   0.01900
O5   0.36780   0.56100   0.25110   1.00000   0.02400
O6   0.13910   0.54830   0.52950   1.00000   0.02100
O7   0.34200   0.74400   0.33150   1.00000   0.02800
O8   0.36990   0.48410   0.48950   1.00000   0.02600
O9   0.25170   0.92290   0.61730   1.00000   0.01840
O-H10   0.20820   0.36190   0.46800   1.00000   0.02000
O-H11   0.29280   0.67510   0.48850   1.00000   0.02800
O-H12   0.21440   0.56280   0.37220   1.00000   0.01400
O-H13   0.31170   0.60150   0.63850   1.00000   0.01700
O-H14   0.18830   0.68540   0.24390   1.00000   0.01480
O-H15   0.18940   0.88510   0.31280   1.00000   0.01600
Wat16A   0.00000   0.75280   0.25000   0.59000   0.04000
Wat16B   0.00000   0.65900   0.25000   0.47000   0.04000
Wat17   0.49940   0.41810   0.14410   0.78000   0.04000
Wat18  -0.01950   0.64430   0.56910   0.94000   0.04000
Wat19   0.02680   0.54920   0.36790   0.81000   0.04000
Wat20   0.49720   0.64690   0.42230   0.63000   0.04000
Wat22   0.50000   0.79400   0.25000   0.53000   0.04000
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
U1 0.02640 0.00816 0.01180 -0.00032 0.00020 -0.00215
U2 0.03150 0.00797 0.00865 0.00260 -0.00180 -0.00103
U3 0.03280 0.00840 0.00695 0.00070 -0.00140 0.00036
U4 0.03160 0.00946 0.01010 -0.00070 0.00150 0.00165