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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/1/52/21/1522173.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_1522173
loop_
_publ_author_name
'Wilhelm, H.'
'Cros, C.'
'Reny, E.'
'Demazeau, G.'
'Hanfland, M.'
_publ_section_title
;
 Pressure-induced structural phase transitions in Ln2-x Ndx Cu O4 for Ln=
 La (0.6< x<2) and Ln= Pr (x= 0)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              231
_journal_page_last               240
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Cu La Nd O4'
_chemical_name_systematic        '(La Nd) Cu O4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9746
_cell_length_b                   3.9746
_cell_length_c                   12.3647
_cell_volume                     195.331
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wilhelm_JSSCBI_2000_1856.cif
_cod_data_source_block           Cu1La1Nd1O4
_cod_original_cell_volume        195.3307
_cod_original_formula_sum        'Cu1 La1 Nd1 O4'
_cod_database_code               1522173
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
O2 O-2 0 0.5 0.25 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Nd1 Nd+3 0 0 0.3506 0.5 0.0
O1 O-2 0 0.5 0 1 0.0
La1 La+3 0 0 0.3506 0.5 0.0
