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: synthetic
 Sample: Na-Ms-CRY-Np
;
_chemical_formula_sum 'Na1.22 U8 O39.09 H32'
_cell_length_a 14.6401
_cell_length_b 14.0417
_cell_length_c 16.7044
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3433.955
_exptl_crystal_density_diffrn      5.010
_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   0.50110   0.66280   0.28400   0.61000   0.04000
U1   0.23574   0.74017   0.38168   1.00000   0.01470
U2   0.27735   0.76422   0.60929   1.00000   0.01475
U3   0.25531   0.51527   0.24250   1.00000   0.01534
U4   0.25387   0.51696   0.51512   1.00000   0.01435
O1   0.16840   0.74230   0.62630   1.00000   0.03000
O2   0.14490   0.47740   0.23050   1.00000   0.03200
O3   0.12030   0.75220   0.41090   1.00000   0.02900
O4   0.39600   0.77790   0.60120   1.00000   0.02900
O5   0.36930   0.54830   0.26200   1.00000   0.02400
O6   0.13680   0.53410   0.53680   1.00000   0.02100
O7   0.34730   0.73270   0.34790   1.00000   0.01900
O8   0.36660   0.49600   0.48760   1.00000   0.02800
O9   0.24170   0.92170   0.62120   1.00000   0.01240
O-H10   0.21370   0.36040   0.47050   1.00000   0.01300
O11   0.27300   0.67340   0.49890   1.00000   0.01800
O-H12   0.21410   0.56270   0.37630   1.00000   0.01600
O-H13   0.30570   0.60040   0.64600   1.00000   0.01300
O-H14   0.19210   0.68450   0.24910   1.00000   0.01700
O-H15   0.21080   0.87920   0.31330   1.00000   0.01500
Wat16A   0.00000   0.73800   0.25000   0.33000   0.04000
Wat16B   0.00000   0.68300   0.25000   0.60000   0.04000
Wat17   0.49530   0.40390   0.14890   0.98000   0.04000
Wat18  -0.01630   0.66410   0.54960   1.00000   0.04000
Wat19   0.02330   0.54800   0.37580   0.98000   0.04000
Wat20   0.50610   0.62060   0.40200   0.70000   0.04000
Wat22   0.50000   0.81980   0.25000   0.84000   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 0.02400 0.00970 0.01040 -0.00110 0.00060 0.00000
U2 0.02390 0.00860 0.01170 0.00050 -0.00230 -0.00170
U3 0.02820 0.00870 0.00920 -0.00030 -0.00080 -0.00060
U4 0.02500 0.00830 0.00970 0.00040 0.00050 0.00100
O1 0.04500 0.00100 0.04300 0.01000 0.00500 -0.00100
O2 0.04000 0.04600 0.00900 0.00500 0.00700 -0.01200
O3 0.02300 0.02900 0.03400 0.01300 -0.01300 0.00300
O4 0.03300 0.03200 0.02100 0.00400 -0.01100 -0.00300
O5 0.01700 0.02700 0.02700 0.00000 -0.01200 -0.01700
O6 0.01200 0.02600 0.02600 0.00300 -0.01000 0.00900
O7 0.00600 0.02600 0.02400 -0.00100 -0.00300 -0.00900
O8 0.03700 0.02400 0.02200 0.00100 -0.00300 0.00700