#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007083.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_1007083
_chemical_name_systematic          'Dipotassium hydrogenbis(chromato)arsenate'
_chemical_formula_structural       'K2 H Cr2 As O10'
_chemical_formula_sum            'As Cr2 H K2 O10'
_[local]_cod_chemical_formula_sum_orig 'H As Cr2 K2 O10'
_publ_section_title
;
Structure de l'Hydrogenobis(chromato)arsenate de Potassium K~2~ H Cr~2~
As O~10~ et Donnees Cristallographiques sur K~2~ H Cr~2~ P O~10~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    34
_journal_year                      1978
_journal_page_first                3725
_journal_page_last                 3727
_cell_length_a                     7.712(3)
_cell_length_b                     7.712(3)
_cell_length_c                     14.644(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       754.3
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 31'
_symmetry_Int_Tables_number        144
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  'y-x,-x,2/3+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cr6+   6.000
  As5+   5.000
  K1+    1.000
  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
  Cr1   Cr6+   3 a 0.4278(3) 0.4243(3) 0.2449 1.  0 d
  Cr2   Cr6+   3 a 0.4191(3) 0.4205(4) 0.7530(2) 1.  0 d
  As1   As5+   3 a 0.1281(2) 0.0199(2) 0.3493(2) 1.  0 d
  K1    K1+    3 a 0.5520(5) 0.0182(5) 0.8389(3) 1.  0 d
  K2    K1+    3 a 0.6083(5) 0.0061(5) 0.3323(3) 1.  0 d
  O1    O2-    3 a 0.3557(17) 0.1857(17) 0.3021(8) 1.  0 d
  O2    O2-    3 a 0.6253(22) 0.4796(23) 0.1851(11) 1.  0 d
  O3    O2-    3 a 0.4692(28) 0.5941(19) 0.3209(9) 1.  0 d
  O4    O2-    3 a 0.2453(20) 0.3904(18) 0.1759(10) 1.  0 d
  O5    O2-    3 a 0.1898(17) 0.3371(19) 0.6867(8) 1.  0 d
  O6    O2-    3 a 0.7722(22) 0.1699(20) 0.1422(12) 1.  0 d
  O7    O2-    3 a 0.1433(20) 0.5565(19) 0.4931(9) 1.  0 d
  O8    O2-    3 a 0.4945(24) 0.0868(24) 0.0147(9) 1.  0 d
  O9    O2-    3 a 0.0873(22) 0.097(2) 0.4482(8) 1.  0 d
  O10   O2-    3 a 0.0157(21) -0.0424(20) 0.6142(9) 1.  0 d
  H1    H1+    3 a -1. -1. -1. 1.  0 dum
_refine_ls_R_factor_all            0.054
_cod_database_code 1007083