#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/14/1001402.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_1001402
_chemical_name_systematic          'Barium lanthanum nickel hexaoxoruthenate(V)'
_chemical_formula_structural       'Ba La Ni (Ru O6)'
_chemical_formula_sum              'Ba La Ni O6 Ru'
_publ_section_title
;
Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A
Comparison with Antiferromagnetic Ba La Zn Ru O~6~
;
loop_
_publ_author_name
  'Battle, P D'
  'Gibb, T C'
  'Jones, C W'
  'Studer, F'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    78
_journal_year                      1989
_journal_page_first                281
_journal_page_last                 293
_cell_length_a                     5.5964(2)
_cell_length_b                     5.5879(2)
_cell_length_c                     7.9319(1)
_cell_angle_alpha                  89.803(7)
_cell_angle_beta                   90.10(2)
_cell_angle_gamma                  90.09(1)
_cell_volume                       248.0
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  La3+   3.000
  Ni2+   2.000
  Ru5+   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+   4 i .000(4) 0.501(1) 0.246(4) 0.5  0 d
  La1   La3+   4 i .000(4) 0.501(1) 0.246(4) 0.5  0 d
  Ni1   Ni2+   2 a 0. 0. 0. 0.5  0 d
  Ru1   Ru5+   2 a 0. 0. 0. 0.5  0 d
  Ni2   Ni2+   2 b 0. 0. 0.5 0.5  0 d
  Ru2   Ru5+   2 b 0. 0. 0.5 0.5  0 d
  O1    O2-    4 i 0.016(6) -0.015(7) 0.248(5) 1.  0 d
  O2    O2-    4 i 0.229(7) 0.726(6) 0.004(6) 1.  0 d
  O3    O2-    4 i -0.213(6) 0.716(5) 0.492(2) 1.  0 d
_refine_ls_R_factor_all            0.096
_cod_database_code 1001402