data_global
_amcsd_formula_title 'Nb4 O12 U'
loop_
_publ_author_name
'Labeau M'
'Grey I'
'Coubert J'
'Chenevas J'
'Collomb A'
'Guitel J'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 41 
_journal_year 1985
_journal_page_first 33
_journal_page_last 41
_publ_section_title
;
 The structure of the a-cation deficient Perovskite U Nb4 O12
 _cod_database_code 1008280
;
_database_code_amcsd 0016202
_chemical_formula_sum 'U2.05 Nb8 O24'
_cell_length_a 15.424
_cell_length_b 7.712
_cell_length_c 15.592
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1854.667
_exptl_crystal_density_diffrn      5.785
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U1   0.00000   0.00000   0.00000   0.88000
U2   0.00000   0.50000   0.00000   0.96000
U3   0.25910   0.00000   0.00000   0.55000
U4   0.25760   0.50000   0.00000   0.46000
U5   0.49000   0.00000   0.00000   0.06000
U6   0.48600   0.50000   0.00000   0.06000
Nb1   0.12570   0.25210   0.13520   1.00000
Nb2   0.38030   0.26400   0.12510   1.00000
O1   0.38400   0.00000   0.09800   1.00000
O2   0.14900   0.00000   0.36400   1.00000
O3   0.09300   0.00000   0.13600   1.00000
O4   0.36900   0.00000   0.40400   1.00000
O5   0.36200   0.28500   0.00000   1.00000
O6   0.00000   0.22700   0.39100   1.00000
O7   0.13500   0.18500   0.00000   1.00000
O8   0.00000   0.28700   0.10000   1.00000
O9   0.24700   0.21400   0.13100   1.00000
O10   0.13700   0.29100   0.25300   1.00000