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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/15/4031577.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_4031577
loop_
_publ_author_name
'Gonzales, J.M.R.'
'Arean, C.O.'
_publ_section_title
;
 X-ray diffraction determination of the cation distribution and oxygen
 positional parameter in polycrystalline spinels
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2155
_journal_page_last               2159
_journal_volume                  1985
_journal_year                    1985
_chemical_formula_sum            'Al2 Cu0.6 O4 Zn0.4'
_chemical_name_systematic        'Cu.6 Zn.4 Al2 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.39
_cell_length_b                   8.39
_cell_length_c                   8.39
_cell_volume                     590.590
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Gonzales_JCDTBI_1985_1591.cif
_cod_data_source_block           Al2Cu0.6O4Zn0.4
_cod_original_cell_volume        590.5898
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_database_code               4031577
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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
Zn2 Zn+2 0.625 0.625 0.625 0.01 0.0
Zn1 Zn+2 0 0 0 0.38 0.0
Al2 Al+3 0.625 0.625 0.625 0.87 0.0
Cu1 Cu+2 0 0 0 0.36 0.0
O1 O-2 0.388 0.388 0.388 1 0.0
Cu2 Cu+2 0.625 0.625 0.625 0.12 0.0
Al1 Al+3 0 0 0 0.26 0.0
