#------------------------------------------------------------------------------
#$Date: 2015-07-12 19:13:17 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147393 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/62/1526251.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_1526251
loop_
_publ_author_name
'Petrykin, V.V.'
'Oleynikov, N.N.'
'Goodilin, E.A.'
'Trofimenko, E.A.'
'Heste, J.'
'Kakihana, M.'
'Tret'yakov, Yu.D.'
_publ_section_title
;
 Structural disorder and superconductivity suppression in Nd Ba2 Cu3 Oz (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            'Ba1.95 Cu3 Nd1.05 O6.95'
_chemical_name_systematic        'Nd (Ba1.95 Nd0.05) Cu3 O6.95'
_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                   3.9018
_cell_length_b                   3.9021
_cell_length_c                   11.7079
_cell_volume                     178.255
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Petrykin_PHYCE6_2000_448.cif
_cod_data_source_block           Ba1.95Cu3Nd1.05O6.95
_cod_original_cell_volume        178.2553
_cod_database_code               1526251
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 0.173 1 0.0
Cu2 Cu+2 0 0 0.3479 1 0.0
O2 O-2 0 0.5 0.384 1 0.0
O1 O-2 0 0.5 0 0.51 0.0
Ba1 Ba+2 0.5 0.5 0.1825 0.975 0.0
Cu1 Cu+2 0 0 0 1 0.0
O5 O-2 0.5 0 0 0.44 0.0
O3 O-2 0.5 0 0.358 1 0.0
Nd2 Nd+3 0.5 0.5 0.1825 0.025 0.0
Nd1 Nd+3 0.5 0.5 0.5 1 0.0
