#------------------------------------------------------------------------------
#$Date: 2019-10-03 02:14:36 +0200 (jue 03 de oct de 2019) $
#$Revision: 219049 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/23/1552367.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_1552367
loop_
_publ_author_name
'Wang, C.'
'Soga, H.'
'Yugi, T.'
'Sakai, M.'
'Okiba, T.'
'Hashimoto, T.'
_publ_section_title
;
 Variation in crystal structure of Ln2Ni1-xCuxO4+delta (Ln: La, Pr, Nd,
 Sm, Eu, and their solid solution) based on type of Ln: Relationship
 between crystal structure and tolerance factor
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              678
_journal_page_last               687
_journal_paper_doi               10.2109/jcersj2.19028
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'Cu0.6 Ni0.4 O4 Pr2'
_chemical_name_common            'Pr2Ni0.4Cu0.6O4 T phase'
_chemical_name_mineral           Pr2Ni0.4Cu0.6O4
_space_group_IT_number           69
_space_group_name_Hall           '-F 2 2'
_space_group_name_H-M_alt        'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.429(5)
_cell_length_b                   5.420(6)
_cell_length_c                   12.582(5)
_cell_volume                     370.2(6)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Pr2NiCuO4-T-phase.cif
_cod_data_source_block           Pr2NiCuO4-T-phase
_cod_original_formula_sum        'Pr2 Ni0.4 Cu0.6 O4'
_cod_database_code               1552367
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x,-y,z
4 x,y,-z
5 -x,y,-z
6 x,-y,z
7 x,-y,-z
8 -x,y,z
9 x,y+1/2,z+1/2
10 -x,-y+1/2,-z+1/2
11 -x,-y+1/2,z+1/2
12 x,y+1/2,-z+1/2
13 -x,y+1/2,-z+1/2
14 x,-y+1/2,z+1/2
15 x,-y+1/2,-z+1/2
16 -x,y+1/2,z+1/2
17 x+1/2,y,z+1/2
18 -x+1/2,-y,-z+1/2
19 -x+1/2,-y,z+1/2
20 x+1/2,y,-z+1/2
21 -x+1/2,y,-z+1/2
22 x+1/2,-y,z+1/2
23 x+1/2,-y,-z+1/2
24 -x+1/2,y,z+1/2
25 x+1/2,y+1/2,z
26 -x+1/2,-y+1/2,-z
27 -x+1/2,-y+1/2,z
28 x+1/2,y+1/2,-z
29 -x+1/2,y+1/2,-z
30 x+1/2,-y+1/2,z
31 x+1/2,-y+1/2,-z
32 -x+1/2,y+1/2,z
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Pr 1.0 0.000000 0.000000 0.358600 Biso 0.106000 Pr
NiCu 0.6000 0.000000 0.000000 0.000000 Biso 0.133000 Ni
CuNi 0.4000 0.000000 0.000000 0.000000 Biso 0.133000 Cu
O1 1.0 0.250000 0.250000 0.000000 Biso 2.438000 O
O2 1.0 0.000000 0.000000 0.174500 Biso 2.438000 O
