#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002702.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_2002702
_chemical_name_systematic          'Barium dicopper bis(arsenate(V))'
_chemical_formula_structural       'Ba Cu2 (As O4)2'
_chemical_formula_sum              'As2 Ba Cu2 O8'
_publ_section_title
;
Zur Kenntnis eines Barium-Kupfer-Orthoarsenats: Ba Cu2 (As O4)2
;
loop_
_publ_author_name
  'Osterloh, D'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    620
_journal_year                      1994
_journal_page_first                651
_journal_page_last                 654
_cell_length_a                     4.752(2)
_cell_length_b                     8.506(2)
_cell_length_c                     8.945(2)
_cell_angle_alpha                  90
_cell_angle_beta                   93.49(5)
_cell_angle_gamma                  90
_cell_volume                       360.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 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,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Cu2+   2.000
  As5+   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+   2 a 0. 0. 0. 1.  0 d
  Cu1   Cu2+   4 e 0.0329(4) 0.5721(2) 0.1515(2) 1.  0 d
  As1   As5+   4 e 0.5328(3) 0.6914(2) 0.9231(2) 1.  0 d
  O1    O2-    4 e 0.511(1) 0.121(1) 0.137(1) 1.  0 d
  O2    O2-    4 e 0.761(1) 0.216(1) 0.417(1) 1.  0 d
  O3    O2-    4 e 0.824(1) 0.082(1) 0.711(1) 1.  0 d
  O4    O2-    4 e 0.288(1) 0.123(1) 0.540(1) 1.  0 d
_refine_ls_R_factor_all            0.08