data_1004107
_chemical_name_systematic          'Dioxouranium(VI) divanadate'
_chemical_formula_structural       '(U O2)2 (V2 O7)'
_chemical_formula_sum              'O11 U2 V2'
_publ_section_title
;
Ab initio structure determination of uranyl divanadate (U O2)2 V2 O7
from powder X-ray diffraction data
;
loop_
_publ_author_name
  'Tancret, N'
  'Obbade, S'
  'Abraham, F'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    32
_journal_year                      1995
_journal_page_first                195
_journal_page_last                 207
_cell_length_a                     5.6492(1)
_cell_length_b                     13.1841(2)
_cell_length_c                     7.2844(1)
_cell_angle_alpha                  90
_cell_angle_beta                   119.745(1)
_cell_angle_gamma                  90
_cell_volume                       471.1
_cell_formula_units_Z              2
_exptl_crystal_density_meas        5.31
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    6.000
  V5+    5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  U1    U6+    4 e 0.1647(4) 0.6783(2) 0.3297(3) 1.  0 d
  V1    V5+    4 e 0.199(2) 0.5731(6) 0.851(2) 1.  0 d
  O1    O2-    4 e 0.151(5) 0.662(2) 0.007(4) 1.  0 d
  O2    O2-    4 e 0.827(6) 0.690(2) 0.212(5) 1.  0 d
  O3    O2-    2 d 0.5 0.5 0. 1.  0 d
  O4    O2-    4 e 0.194(5) 0.651(2) 0.663(4) 1.  0 d
  O5    O2-    4 e 0.507(6) 0.652(2) 0.461(5) 1.  0 d
  O6    O2-    4 e -0.068(6) 0.495(2) 0.732(5) 1.  0 d
_refine_ls_R_factor_all            0.028