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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$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
loop_
_publ_author_name
'Battle, P D'
'Gibb, T C'
'Jones, C W'
'Studer, F'
_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~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              281
_journal_page_last               293
_journal_paper_doi               10.1016/0022-4596(89)90109-6
_journal_volume                  78
_journal_year                    1989
_chemical_formula_structural     'Ba La Ni (Ru O6)'
_chemical_formula_sum            'Ba La Ni O6 Ru'
_chemical_name_systematic        'Barium lanthanum nickel hexaoxoruthenate(V)'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                89.803(7)
_cell_angle_beta                 90.10(2)
_cell_angle_gamma                90.09(1)
_cell_formula_units_Z            2
_cell_length_a                   5.5964(2)
_cell_length_b                   5.5879(2)
_cell_length_c                   7.9319(1)
_cell_volume                     248.0
_refine_ls_R_factor_all          0.096
_cod_database_code               1001402
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
La3+ 3.000
Ni2+ 2.000
Ru5+ 5.000
O2- -2.000