data_1004149
_chemical_name_systematic          'Caesium dioxouranium tris(vanadate)'
_chemical_formula_structural       'Cs (U O2) (V O3)3'
_chemical_formula_sum              'Cs O11 U V3'
_publ_section_title
;
Cs U V3 O11: a new uranyl vanadate with a layered structure
;
loop_
_publ_author_name
  'Duribreux, I'
  'Dion, C'
  'Abraham, F'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    146
_journal_year                      1999
_journal_page_first                258
_journal_page_last                 265
_cell_length_a                     11.904(2)
_cell_length_b                     6.821(6)
_cell_length_c                     12.095(2)
_cell_angle_alpha                  90
_cell_angle_beta                   106.989(5)
_cell_angle_gamma                  90
_cell_volume                       939.2
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.89
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    6.000
  Cs1+   1.000
  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 0.30312(4) 0.0008(1) 0.18227(4) 1.  0 d
  Cs1   Cs1+   4 e 0.1202(2) 0.7337(2) 0.4434(1) 1.  0 d
  V1    V5+    4 e 0.3162(2) 0.5040(4) 0.2268(2) 1.  0 d
  V2    V5+    4 e 0.0672(2) 0.2501(3) 0.2297(2) 1.  0 d
  V3    V5+    4 e 0.5407(2) 0.7494(3) 0.1384(2) 1.  0 d
  O1    O2-    4 e 0.2596(8) 0.003(2) 0.0305(9) 1.  0 d
  O2    O2-    4 e 0.3463(8) -0.008(2) 0.3352(9) 1.  0 d
  O3    O2-    4 e 0.3556(9) 0.516(2) 0.365(1) 1.  0 d
  O4    O2-    4 e 0.1088(9) 0.251(2) 0.370(1) 1.  0 d
  O5    O2-    4 e 0.002(1) 0.248(1) -0.001(1) 1.  0 d
  O6    O2-    4 e 0.4069(9) 0.692(1) 0.185(1) 1.  0 d
  O7    O2-    4 e 0.2004(9) 0.691(1) 0.182(1) 1.  0 d
  O8    O2-    4 e 0.4097(9) 0.309(1) 0.194(1) 1.  0 d
  O9    O2-    4 e 0.2035(8) 0.309(1) 0.1935(9) 1.  0 d
  O10   O2-    4 e 0.0984(7) -0.003(2) 0.1911(8) 1.  0 d
  O11   O2-    4 e 0.0126(7) 0.503(2) 0.1903(8) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  U1    0.0038(2) 0.0003(2) 0.0033(1) 0.0032(2) 0.0002(3) 0.0126(2)
  Cs1   0.0970(12) 0.0058(9) 0.0025(8) 0.0463(8) -0.0043(7) 0.0268(8)
  V1    0.0064(8) -0.0010(13) 0.0054(8) 0.0038(8) 0.0010(14) 0.0196(12)
  V2    0.0030(9) 0.0003(8) 0.0065(10) 0.0041(9) 0.0002(10) 0.0239(15)
  V3    0.0109(11) 0.0001(9) 0.0065(11) 0.0097(11) -0.0003(11) 0.0221(15)
_refine_ls_R_factor_all            0.045