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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/1/00/14/1001401.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_1001401
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 ruthenate(V)'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.16(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.6093(3)
_cell_length_b                   5.6154(3)
_cell_length_c                   7.9571(2)
_cell_volume                     250.6
_refine_ls_R_factor_all          0.093
_cod_database_code               1001401
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,1/2+z
-x,-y,-z
-x,y,1/2-z
1/2+x,1/2+y,1/2+z
1/2+x,1/2-y,z
1/2-x,1/2-y,1/2-z
1/2-x,1/2+y,-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 e 0. 0.498(3) 0.25 0.5 0 d
La1 La3+ 4 e 0. 0.498(3) 0.25 0.5 0 d
Ni1 Ni2+ 4 a 0. 0. 0. 0.5 0 d
Ru1 Ru5+ 4 a 0. 0. 0. 0.5 0 d
O1 O2- 4 e 0. -0.013(4) 0.25 1. 0 d
O2 O2- 8 f 0.222(2) 0.726(2) 0.0090(7) 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