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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/62/1526249.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_1526249
loop_
_publ_author_name
'Petrykin, V.V.'
'Heste, J.'
'Goodilin, E.A.'
'Trofimenko, E.A.'
'Oleynikov, N.N.'
'Kakihana, M.'
'Tret'yakov, Yu.D.'
_publ_section_title
;
 Structural disorder and superconductivity suppression in Nd Ba2 Cu3Oz (z
 = 7)
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              16
_journal_page_last               32
_journal_volume                  340
_journal_year                    2000
_chemical_formula_sum            'Ba2 Cu3 Nd O6.9'
_chemical_name_systematic        'Nd Ba2 Cu3 O6.9'
_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                   3.8966
_cell_length_b                   3.9084
_cell_length_c                   11.7186
_cell_volume                     178.468
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Petrykin_PHYCE6_2000_447.cif
_cod_data_source_block           Ba2Cu3Nd1O6.9
_cod_original_cell_volume        178.4681
_cod_original_formula_sum        'Ba2 Cu3 Nd1 O6.9'
_cod_database_code               1526249
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
O4 O-2 0 0 0.162 1 0.0
Nd1 Nd+3 0.5 0.5 0.5 1 0.0
O1 O-2 0 0.5 0 0.77 0.0
Ba1 Ba+2 0.5 0.5 0.1822 1 0.0
O3 O-2 0.5 0 0.366 1 0.0
O2 O-2 0 0.5 0.374 1 0.0
Cu2 Cu+2 0 0 0.3527 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O5 O-2 0.5 0 0 0.13 0.0
