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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/86/1538606.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_1538606
loop_
_publ_author_name
'Kajitani, T.'
'Kusaba, K.'
'Kikuchi, M.'
'Syono, Y.'
'Hirabayashi, M.'
_publ_section_title
;
 Crystal structures of Y Ba2 Cu3-s As O9-g (A = Ni, Zn and Co)
;
_journal_name_full               'Japanese Journal of Applied Physics, Part 2'
_journal_page_first              354
_journal_page_last               357
_journal_volume                  27
_journal_year                    1988
_chemical_formula_sum            'Ba2 Cu2.8 Ni0.2 O6.85 Y'
_chemical_name_systematic        'Y Ba2 Cu2.8 Ni0.2 O6.85'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8226
_cell_length_b                   3.8788
_cell_length_c                   11.6307
_cell_volume                     172.450
_citation_journal_id_ASTM        JAPLD8
_cod_data_source_file            Kajitani_JAPLD8_1988_1013.cif
_cod_data_source_block           Ba2Cu2.8Ni0.2O6.85Y1
_cod_original_cell_volume        172.4496
_cod_original_formula_sum        'Ba2 Cu2.8 Ni0.2 O6.85 Y1'
_cod_database_code               1538606
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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Y1 Y+3 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0.5 0.5 0.1847 1 0.0
O1 O-2 0 0.5 0 0.88 0.0
Cu1 Cu+2 0 0 0 1 0.0
Ni2 Ni+2 0 0 0.3554 0.1 0.0
O3 O-2 0 0.5 0.3823 1 0.0
O4 O-2 0.5 0 0.3734 0.98 0.0
Ni1 Ni+2 0 0 0 0 0.0
Cu2 Cu+2 0 0 0.3554 0.9 0.0
O2 O-2 0 0 0.1607 1 0.0
