#------------------------------------------------------------------------------
#$Date: 2019-10-03 03:15:39 +0300 (Thu, 03 Oct 2019) $
#$Revision: 219050 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/23/1552368.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_1552368
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            'Cu O4 Pr2'
_chemical_name_common            'Pr2CuO4 T-prime phase'
_chemical_name_mineral           Pr2CuO4
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        '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                   3.962(8)
_cell_length_b                   3.962(8)
_cell_length_c                   12.238(6)
_cell_volume                     192.1(6)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Pr2CuO4-T-prime-phase.cif
_cod_data_source_block           Pr2CuO4-T-prime-phase
_cod_original_formula_sum        'Pr2 Cu1 O4'
_cod_database_code               1552368
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 -y,x,z
6 y,-x,-z
7 y,-x,z
8 -y,x,-z
9 -x,y,-z
10 x,-y,z
11 x,-y,-z
12 -x,y,z
13 y,x,-z
14 -y,-x,z
15 -y,-x,-z
16 y,x,z
17 x+1/2,y+1/2,z+1/2
18 -x+1/2,-y+1/2,-z+1/2
19 -x+1/2,-y+1/2,z+1/2
20 x+1/2,y+1/2,-z+1/2
21 -y+1/2,x+1/2,z+1/2
22 y+1/2,-x+1/2,-z+1/2
23 y+1/2,-x+1/2,z+1/2
24 -y+1/2,x+1/2,-z+1/2
25 -x+1/2,y+1/2,-z+1/2
26 x+1/2,-y+1/2,z+1/2
27 x+1/2,-y+1/2,-z+1/2
28 -x+1/2,y+1/2,z+1/2
29 y+1/2,x+1/2,-z+1/2
30 -y+1/2,-x+1/2,z+1/2
31 -y+1/2,-x+1/2,-z+1/2
32 y+1/2,x+1/2,z+1/2
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 0.351800 Biso 0.273000 Pr
Cu 1.0 0.000000 0.000000 0.000000 Biso 0.324000 Cu
O1 1.0 0.000000 0.500000 0.000000 Biso 1.716000 O
O2 1.0 0.000000 0.500000 0.250000 Biso 0.798000 O
