#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/27/2002702.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
loop_
_publ_author_name
'Osterloh, D'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Zur Kenntnis eines Barium-Kupfer-Orthoarsenats: Ba Cu2 (As O4)2
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              651
_journal_page_last               654
_journal_paper_doi               10.1002/zaac.19946200412
_journal_volume                  620
_journal_year                    1994
_chemical_formula_structural     'Ba Cu2 (As O4)2'
_chemical_formula_sum            'As2 Ba Cu2 O8'
_chemical_name_systematic        'Barium dicopper bis(arsenate(V))'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.49(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.752(2)
_cell_length_b                   8.506(2)
_cell_length_c                   8.945(2)
_cell_volume                     360.9
_refine_ls_R_factor_all          0.08
_cod_database_code               2002702
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Cu2+ 2.000
As5+ 5.000
O2- -2.000
