#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008039.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008039
_chemical_name_systematic          'Barium hydrogenarsenatodichromate'
_chemical_formula_structural       'Ba H (As Cr2 O10)'
_chemical_formula_sum              'H As Ba Cr2 O10'
_publ_section_title
;
Un nouvel exemple d'anion du type (X Cr~2~ O~10~) (X=As). Structure de
Ba H (As Cr~2~ O~10~)
;
loop_
_publ_author_name
  'Blum, D'
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                726
_journal_page_last                 727
_cell_length_a                     7.433(3)
_cell_length_b                     7.960(4)
_cell_length_c                     8.038(4)
_cell_angle_alpha                  115.91(5)
_cell_angle_beta                   99.41(5)
_cell_angle_gamma                  89.31(5)
_cell_volume                       421.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  As5+   5.000
  Cr6+   6.000
  O2-   -2.000
  H1+    1.000
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+   2 i 0.24926(9) 0.7109(1) 0.1304(1) 1.  0 d
  As1   As5+   2 i 0.1753(1) 0.2855(1) 0.2383(1) 1.  0 d
  Cr1   Cr6+   2 i 0.4022(3) 0.8118(3) 0.7099(3) 1.  0 d
  Cr2   Cr6+   2 i 0.2184(5) 0.2583(5) 0.6214(5) 1.  0 d
  O1    O2-    2 i 0.076(1) 0.399(1) 0.123(1) 1.  1 d
  O2    O2-    2 i 0.123(1) 0.057(1) 0.140(1) 1.  1 d
  O3    O2-    2 i 0.404(1) 0.325(1) 0.265(1) 1.  0 d
  O4    O2-    2 i 0.133(1) 0.373(1) 0.464(1) 1.  0 d
  O5    O2-    2 i 0.325(1) 0.742(2) 0.490(2) 1.  0 d
  O6    O2-    2 i 0.250(1) 0.762(1) 0.806(2) 1.  0 d
  O7    O2-    2 i 0.464(1) 0.030(1) 0.817(1) 1.  0 d
  O8    O2-    2 i 0.365(2) 0.399(1) 0.809(2) 1.  0 d
  O9    O2-    2 i 0.049(1) 0.182(2) 0.672(2) 1.  0 d
  O10   O2-    2 i 0.331(2) 0.083(2) 0.491(2) 1.  0 d
  H1    H1+    2 i -1. -1. -1. 1.  0 dum
_refine_ls_R_factor_all            0.045