#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/00/15/1001501.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_1001501
loop_
_publ_author_name
'Benloucif, R'
'Nguyen, N'
'Caignaert, V'
'Raveau, B'
_publ_section_title
;
The solid solution Nd~2-x~Y~x~BaNiO~5~, a progressive transition from a
tridimensional to an unidimensional anti-ferromagnetic state
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              213
_journal_page_last               218
_journal_paper_doi               10.1016/0025-5408(91)90012-B
_journal_volume                  26
_journal_year                    1991
_chemical_formula_structural     'Y2 Ba (Ni O5)'
_chemical_formula_sum            'Ba Ni O5 Y2'
_chemical_name_systematic        'Diyttrium barium niccolate'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.760(1)
_cell_length_b                   5.762(1)
_cell_length_c                   11.339(1)
_cell_volume                     245.7
_refine_ls_R_factor_all          0.053
_cod_database_code               1001501
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-x,-y,-z
-x,y,z
x,-y,z
x,y,-z
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
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
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
Y1 Y3+ 4 j 0.5 0. 0.7022(1) 1. 0 d
Ba1 Ba2+ 2 a 0. 0. 0. 1. 0 d
Ni1 Ni2+ 2 c 0.5 0.5 0. 1. 0 d
O1 O2- 8 l 0. 0.7599(12) 0.3504(5) 1. 0 d
O2 O2- 2 d 0.5 0. 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Y3+ 3.000
Ba2+ 2.000
Ni2+ 2.000
O2- -2.000
