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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007068.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_1007068
loop_
_publ_author_name
'Eymond, S'
'Durif, A'
'Martin, C'
_publ_section_title
;
Structure cristalline du monoarseniate de nickelbaryum: Ba Ni~2~ (As
O~4~)~2~
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              1694
_journal_page_last               1696
_journal_volume                  268
_journal_year                    1969
_chemical_formula_structural     'Ba Ni2 (As O4)2'
_chemical_formula_sum            'As2 Ba Ni2 O8'
_chemical_name_systematic        'Barium dinickel arsenate'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.945(5)
_cell_length_b                   4.945(5)
_cell_length_c                   23.61(2)
_cell_volume                     500.0
_refine_ls_R_factor_all          0.106
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_database_code               1007068
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
1/3+x,2/3+y,2/3+z
2/3+x,1/3+y,1/3+z
1/3-y,2/3+x-y,2/3+z
2/3-y,1/3+x-y,1/3+z
1/3-x+y,2/3-x,2/3+z
2/3-x+y,1/3-x,1/3+z
1/3-x,2/3-y,2/3-z
2/3-x,1/3-y,1/3-z
1/3+y,2/3-x+y,2/3-z
2/3+y,1/3-x+y,1/3-z
1/3+x-y,2/3+x,2/3-z
2/3+x-y,1/3+x,1/3-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+ 3 a 0. 0. 0. 1. 0 d
As1 As5+ 6 c 0. 0. 0.427 1. 0 d
Ni1 Ni2+ 6 c 0. 0. 0.167 1. 0 d
O1 O2- 6 c 0. 0. 0.355 1. 0 d
O2 O2- 18 f 0.328 0.328 0.113 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
As5+ 5.000
Ni2+ 2.000
O2- -2.000