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
 Sample: Na-Ms-CRY
;
_database_code_amcsd 0004316
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na1.09 U8 O38.328 H26.656'
_cell_length_a 14.7050
_cell_length_b 14.0565
_cell_length_c 16.7051
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3452.958
_exptl_crystal_density_diffrn      4.942
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_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   0.50250   0.65930   0.27560   0.54500   0.04000
U1   0.23566   0.73997   0.38244   1.00000   0.01284
U2   0.27743   0.76403   0.61003   1.00000   0.01368
U3   0.25494   0.51522   0.24274   1.00000   0.01410
U4   0.25380   0.51705   0.51584   1.00000   0.01329
O1   0.16130   0.74030   0.62730   1.00000   0.03210
O2   0.14070   0.47690   0.22920   1.00000   0.03050
O3   0.12050   0.75140   0.41390   1.00000   0.02450
O4   0.39640   0.78040   0.60150   1.00000   0.01830
O5   0.36920   0.55170   0.25970   1.00000   0.02530
O6   0.13720   0.53880   0.53830   1.00000   0.02060
O7   0.34870   0.73020   0.34680   1.00000   0.02550
O8   0.36940   0.49350   0.48900   1.00000   0.02920
O9   0.24190   0.91850   0.62190   1.00000   0.02170
O-H10   0.21130   0.36130   0.47160   1.00000   0.01720
O11   0.27370   0.67410   0.49840   1.00000   0.02450
O-H12   0.21160   0.56220   0.37810   1.00000   0.01510
O-H13   0.30860   0.60010   0.64560   1.00000   0.01520
O-H14   0.19360   0.68590   0.24870   1.00000   0.01530
O-H15   0.21370   0.87970   0.31360   1.00000   0.01370
Wat16A   0.00000   0.72300   0.25000   0.39000   0.04000
Wat16B   0.00000   0.68100   0.25000   0.46000   0.04000
Wat17   0.49240   0.40260   0.15510   0.78500   0.04000
Wat18  -0.01950   0.66420   0.55300   0.96700   0.04000
Wat19   0.02720   0.54860   0.37750   0.92600   0.04000
Wat20   0.50670   0.62240   0.40100   0.67400   0.04000
Wat22   0.50000   0.81860   0.25000   0.77400   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 0.02174 0.00874 0.00805 -0.00061 -0.00010 0.00018
U2 0.02134 0.00830 0.01139 0.00077 -0.00230 -0.00190
U3 0.02619 0.00854 0.00757 -0.00025 -0.00077 -0.00003
U4 0.02316 0.00811 0.00860 0.00063 0.00093 0.00093
O1 0.03400 0.02200 0.04000 0.00000 0.00100 -0.00900
O2 0.03300 0.03900 0.01900 -0.00500 0.00100 -0.00500
O3 0.01900 0.01900 0.03600 0.00000 0.00300 0.00000
O4 0.02600 0.01800 0.01000 -0.00200 0.00000 -0.00400
O5 0.03000 0.02200 0.02400 0.00300 0.00000 -0.00400
O6 0.02000 0.02400 0.01800 0.00100 0.00600 0.00100
O7 0.02400 0.02600 0.02700 -0.00700 0.00200 -0.01100
O8 0.03000 0.02900 0.02800 0.00300 0.00600 0.00900
O9 0.04600 0.01200 0.00700 0.00600 -0.00300 0.00040
O-H10 0.03400 0.00800 0.00900 0.00100 -0.00100 -0.00020
O11 0.04900 0.01700 0.00800 -0.00400 -0.01100 -0.00100
O-H12 0.03000 0.00900 0.00600 0.00300 -0.00300 -0.00110
O-H13 0.03000 0.00900 0.00700 0.00000 0.00000 -0.00020
O-H14 0.03000 0.01100 0.00500 -0.00100 0.00000 0.00000