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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015310.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015310
loop_
_publ_author_name
'Chen, B.'
'Walker, D.'
'Suard, E.'
'Scott, B.'
'Mercey, B.'
'Hervieu, M.'
'Raveau, B.'
_publ_section_title
;
 High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)
 _cod_database_code 1001663
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2077
_journal_page_last               2083
_journal_paper_doi               10.1021/ic00112a020
_journal_volume                  34
_journal_year                    1995
_chemical_formula_sum            'Cu2 Nd2 O5'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.596
_cell_length_b                   10.29
_cell_length_c                   3.806
_cell_formula_units_Z            2
_cell_volume                     219.160
_database_code_amcsd             0012711
_exptl_crystal_density_diffrn    7.510
_cod_duplicate_entry             1001663
_cod_original_formula_sum        'Nd2 Cu2 O5'
_cod_database_code               9015310
_amcsd_formula_title             'Cu Nd O2.5'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1 0.32240 0.35640 0.50000
Cu1 0.29850 0.09810 0.00000
O1 0.28100 0.09800 0.50000
O2 0.54300 0.22300 0.00000
O3 0.00000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012711
