data_2002620
_chemical_name_systematic          'Dibarium bismuth vanadate divanadate'
_chemical_formula_structural       'Ba2 Bi (V O4) (V2 O7)'
_chemical_formula_sum              'Ba2 Bi O11 V3'
_publ_section_title
;
Ba2 Bi V3 O11 mit Bismut in geschlossener Koordination
;
loop_
_publ_author_name
  'Boje, J'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    619
_journal_year                      1993
_journal_page_first                525
_journal_page_last                 528
_cell_length_a                     24.64729(810)
_cell_length_b                     7.7347(83)
_cell_length_c                     5.6375(29)
_cell_angle_alpha                  90
_cell_angle_beta                   103.16(3)
_cell_angle_gamma                  90
_cell_volume                       1046.5
_cell_formula_units_Z              4
_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
  Ba2+   2.000
  Bi3+   3.000
  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
  Ba1   Ba2+   4 e 0.9722(1) 0.2450(5) 0.7230(2) 1.  0 d
  Ba2   Ba2+   4 e 0.3638(1) 0.7320(2) 0.6140(2) 1.  0 d
  Bi1   Bi3+   4 e 0.2498(1) 0.5000(1) 0.0339(1) 1.  0 d
  V1    V5+    4 e 0.0920(3) 0.5197(9) 0.8563(13) 1.  0 d
  V2    V5+    4 e 0.2986(1) 0.2423(9) 0.5485(5) 1.  0 d
  V3    V5+    4 e 0.4084(2) 0.4799(7) 0.1713(10) 1.  0 d
  O1    O2-    4 e 0.4155(7) 0.2460(49) 0.1660(28) 1.  0 d
  O2    O2-    4 e 0.8423(9) 0.9425(25) 0.1279(36) 1.  0 d
  O3    O2-    4 e 0.0607(11) 0.0529(32) 0.0624(39) 1.  0 d
  O4    O2-    4 e 0.556(1) 0.0635(30) 0.0271(37) 1.  0 d
  O5    O2-    4 e 0.0542(9) 0.0627(29) 0.5648(38) 1.  0 d
  O6    O2-    4 e 0.2581(7) 0.1979(20) 0.2506(29) 1.  0 d
  O7    O2-    4 e 0.3416(8) 0.9411(22) 0.0595(33) 1.  0 d
  O8    O2-    4 e 0.2581(7) 0.1988(20) 0.7538(30) 1.  0 d
  O9    O2-    4 e 0.8115(8) 0.0479(23) 0.5630(31) 1.  0 d
  O10   O2-    4 e 0.8579(8) 0.3653(22) 0.6128(31) 1.  0 d
  O11   O2-    4 e 0.4371(11) 0.9483(33) 0.4267(41) 1.  0 d
_refine_ls_R_factor_all            0.05