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-AB1
;
_chemical_formula_sum 'Na1.16 U8 O37.9 H34'
_cell_length_a 14.6317
_cell_length_b 14.0147
_cell_length_c 16.6977
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3424.012
_exptl_crystal_density_diffrn      4.988
_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   0.50640   0.67640   0.28320   0.58000   0.04000
U1   0.23479   0.74265   0.37739   1.00000   0.01824
U2   0.28370   0.76835   0.60448   1.00000   0.01861
U3   0.25685   0.51221   0.24135   1.00000   0.01698
U4   0.25692   0.51835   0.51248   1.00000   0.02172
O1   0.17000   0.74620   0.61310   1.00000   0.04200
O2   0.15060   0.46540   0.23260   1.00000   0.03700
O3   0.12060   0.74240   0.41560   1.00000   0.02400
O4   0.40250   0.78370   0.59830   1.00000   0.02100
O5   0.37150   0.55860   0.25080   1.00000   0.02700
O6   0.14150   0.54770   0.53170   1.00000   0.03500
O7   0.34490   0.74190   0.33680   1.00000   0.02400
O8   0.36700   0.48750   0.48980   1.00000   0.04900
O9   0.24910   0.92370   0.61950   1.00000   0.03300
O-H10   0.20850   0.36380   0.47050   1.00000   0.02300
O-H11   0.29030   0.67290   0.49090   1.00000   0.04200
O-H12   0.21470   0.56350   0.37470   1.00000   0.02100
O-H13   0.31210   0.60300   0.64120   1.00000   0.02000
O-H14   0.18930   0.68400   0.24490   1.00000   0.01800
O-H15   0.19070   0.88400   0.31560   1.00000   0.02200
Wat16A   0.00000   0.75500   0.25000   0.26000   0.04000
Wat16B   0.00000   0.66200   0.25000   0.74000   0.04000
Wat17   0.50080   0.40490   0.14500   0.75000   0.04000
Wat18  -0.01830   0.64850   0.56370   0.87000   0.04000
Wat19   0.02640   0.54490   0.37680   0.89000   0.04000
Wat20   0.49830   0.63690   0.41520   0.61000   0.04000
Wat22   0.50000   0.81700   0.25000   0.66000   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 0.02750 0.01250 0.01470 0.00050 0.00000 -0.00190
U2 0.03270 0.01260 0.01050 0.00200 -0.00170 -0.00180
U3 0.03100 0.01230 0.00770 0.00080 -0.00120 0.00010
U4 0.03530 0.01440 0.01550 -0.00060 0.00050 0.00090
O1 0.06100 0.02100 0.04400 0.00600 -0.02600 -0.01000
O2 0.07800 0.01400 0.01900 0.01600 -0.01600 -0.00900
O3 0.02600 0.02200 0.02500 -0.00200 0.01400 0.01300
O4 0.04300 0.00900 0.01000 0.00300 0.00100 0.00300
O5 0.01700 0.02800 0.03400 -0.01300 0.00900 -0.00200
O6 0.03400 0.02800 0.04400 0.00200 -0.02900 0.01800
O7 0.02500 0.02500 0.02300 0.00000 -0.01000 -0.01300
O8 0.10200 0.03000 0.01300 0.00000 0.00400 0.00200
O9 0.06900 0.02400 0.00600 -0.00100 0.00200 0.00500
OH10 0.03400 0.01100 0.02300 0.00100 0.00000 -0.00500
OH11 0.09200 0.01600 0.01800 -0.00500 -0.00500 0.00400
OH12 0.04300 0.00900 0.01100 -0.00100 -0.00100 0.00100
OH13 0.03900 0.00800 0.01200 -0.00300 0.00000 0.00100
OH14 0.01700 0.01800 0.01900 -0.00400 -0.00200 0.00600