data_global
_chemical_name_mineral 'Metaschoepite'
loop_
_publ_author_name
'Weller M T'
'Light M E'
'Gelbrich T'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 56 
_journal_year 2000
_journal_page_first 577
_journal_page_last 583
_publ_section_title
;
 Structure of uranium (VI) oxide dihydrate UO3*2H2O; synthetic meta-schoepite
 (UO2)4O(OH)6*5H2O
 Sample: T = 150 K
;
_database_code_amcsd 0009921
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'U8 O40 H32'
_cell_length_a 14.6861
_cell_length_b 13.9799
_cell_length_c 16.7063
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3429.974
_exptl_crystal_density_diffrn      4.989
_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
U1   0.23453   0.74724   0.36301   1.00000   0.01561
U2   0.29656   0.77012   0.59321   1.00000   0.01655
U3   0.25426   0.51155   0.22973   1.00000   0.01706
U4   0.25432   0.51460   0.50131   1.00000   0.01630
O1   0.18020   0.74790   0.59350   1.00000   0.03200
O2   0.14380   0.45290   0.22440   1.00000   0.02800
O3   0.12930   0.74490   0.41270   1.00000   0.02600
O4   0.41670   0.78490   0.59140   1.00000   0.02200
O5   0.36420   0.56330   0.23590   1.00000   0.02600
O6   0.14160   0.55790   0.51790   1.00000   0.02300
O7   0.33850   0.75240   0.31010   1.00000   0.03400
O8   0.36920   0.47240   0.48450   1.00000   0.02500
O9   0.26520   0.92360   0.60790   1.00000   0.01900
O-H10   0.20280   0.36150   0.45910   1.00000   0.01900
O-H11   0.31250   0.67190   0.47370   1.00000   0.01600
O-H12   0.21520   0.56670   0.36350   1.00000   0.02100
O-H13   0.31210   0.60070   0.62700   1.00000   0.01900
O-H14   0.18460   0.68520   0.23420   1.00000   0.02200
O-H15   0.18630   0.88880   0.30660   1.00000   0.01800
Wat16   0.00000   0.76090   0.25000   1.00000   0.04900
Wat17   0.50150   0.44090   0.13860   1.00000   0.04800
Wat18  -0.02530   0.62230   0.58700   1.00000   0.06000
Wat19   0.03140   0.56210   0.33910   1.00000   0.04600
Wat20  -0.01190   0.85290   0.57920   1.00000   0.08100
Wat21   0.51700   0.75800   0.28700   0.50000   0.09760
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 0.02830 0.01360 0.00490 -0.00040 -0.00020 -0.00060
U2 0.02920 0.01310 0.00740 0.00080 -0.00120 -0.00120
U3 0.03200 0.01350 0.00570 0.00020 -0.00010 0.00010
U4 0.02960 0.01260 0.00680 -0.00080 0.00160 0.00070