#------------------------------------------------------------------------------
#$Date: 2020-11-09 02:57:39 +0200 (Mon, 09 Nov 2020) $
#$Revision: 259047 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/94/1559487.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_1559487
loop_
_publ_author_name
'Hirakawa, T.'
'Tokuzumi, .W'
'Shimokawa, Y.'
'Sato, T.'
'Yoshida, H.'
'Ohyama, J.'
'Machida, M.'
_publ_section_title
;
 Comparative study of structure-catalytic activity relationship for
 Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              906
_journal_page_last               911
_journal_paper_doi               10.2109/jcersj2.20101
_journal_volume                  128
_journal_year                    2020
_chemical_formula_sum            'Al1.8 Cr0.2 Cu0.05 Ni0.95 O4'
_chemical_name_common
'spinel (Cu0.05Ni0.11Al0.84)(Ni0.42Al0.48Cr0.1)2O4'
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   8.07220(10)
_cell_length_b                   8.07220(10)
_cell_length_c                   8.07220(10)
_cell_volume                     525.988(11)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CuNiAlCrO4.cif
_cod_data_source_block           CuNiAlCrO4
_cod_original_cell_volume        525.987850
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Cu0.05 Ni0.95 Al1.8 Cr0.2 O4'
_cod_database_code               1559487
loop_
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2 -x,-y,-z
3 -x+3/4,-y+1/4,z+1/2
4 x+1/4,y+3/4,-z+1/2
5 -x+1/4,y+1/2,-z+3/4
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8 -x+1/2,y+1/4,z+3/4
9 z,x,y
10 -z,-x,-y
11 z+1/2,-x+3/4,-y+1/4
12 -z+1/2,x+1/4,y+3/4
13 -z+3/4,-x+1/4,y+1/2
14 z+1/4,x+3/4,-y+1/2
15 -z+1/4,x+1/2,-y+3/4
16 z+3/4,-x+1/2,y+1/4
17 y,z,x
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22 -y+1/2,z+1/4,x+3/4
23 -y+3/4,-z+1/4,x+1/2
24 y+1/4,z+3/4,-x+1/2
25 y+3/4,x+1/4,-z+1/2
26 -y+1/4,-x+3/4,z+1/2
27 -y,-x,-z
28 y,x,z
29 y+1/4,-x+1/2,z+3/4
30 -y+3/4,x+1/2,-z+1/4
31 -y+1/2,x+3/4,z+1/4
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53 -x+1/4,y,-z+1/4
54 x+3/4,-y,z+3/4
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67 -y+1/4,z,-x+1/4
68 y+3/4,-z,x+3/4
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70 -y+1/2,z+3/4,x+1/4
71 -y+3/4,-z+3/4,x
72 y+1/4,z+1/4,-x
73 y+3/4,x+3/4,-z
74 -y+1/4,-x+1/4,z
75 -y,-x+1/2,-z+1/2
76 y,x+1/2,z+1/2
77 y+1/4,-x,z+1/4
78 -y+3/4,x,-z+3/4
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83 -x+1/2,z+1/4,y+3/4
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115 -y+3/4,z+1/2,-x+1/4
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118 -y,z+1/4,x+1/4
119 -y+1/4,-z+1/4,x
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158 z+3/4,x+1/4,-y+1/2
159 -z+3/4,x,-y+3/4
160 z+1/4,-x,y+1/4
161 y+1/2,z+1/2,x
162 -y+1/2,-z+1/2,-x
163 -y+3/4,z,-x+3/4
164 y+1/4,-z,x+1/4
165 y,-z+1/4,-x+1/4
166 -y,z+3/4,x+3/4
167 -y+1/4,-z+3/4,x+1/2
168 y+3/4,z+1/4,-x+1/2
169 y+1/4,x+3/4,-z+1/2
170 -y+3/4,-x+1/4,z+1/2
171 -y+1/2,-x+1/2,-z
172 y+1/2,x+1/2,z
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189 -z,y+1/4,x+1/4
190 z,-y+3/4,-x+3/4
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192 z+1/2,y+1/2,x
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
TCu 0.050 0.375000 0.375000 0.375000 Biso 0.64(2) Cu
TNi 0.110(2) 0.375000 0.375000 0.375000 Biso 0.64(2) Ni
TAl 0.840(2) 0.375000 0.375000 0.375000 Biso 0.64(2) Al
ONi 0.420(2) 0.000000 0.000000 0.000000 Biso 0.56(1) Ni
OAl 0.480(2) 0.000000 0.000000 0.000000 Biso 0.56(1) Al
OCr 0.100 0.000000 0.000000 0.000000 Biso 0.56(1) Cr
O 1.0 0.24470(10) 0.24470(10) 0.24470(10) Biso 0.85(2) O
