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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/69/1526929.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_1526929
loop_
_publ_author_name
'Waskowska, A.'
'Staun Olsen, J.'
'Gerward, L.'
'Steenstrup, S.'
'Talik, E.'
_publ_section_title
;
 Cu Mn2 O4 : properties and the high-pressure induced Jahn-Teller phase
 transition
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2549
_journal_page_last               2562
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Cu Mn2 O4'
_chemical_name_systematic        '(Cu0.2 Mn0.8) (Cu0.8 Mn1.2) O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.334
_cell_length_b                   8.334
_cell_length_c                   8.334
_cell_volume                     578.843
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Waskowska_JCOMEL_2001_1352.cif
_cod_data_source_block           Cu1Mn2O4
_cod_original_cell_volume        578.8425
_cod_original_formula_sum        'Cu1 Mn2 O4'
_cod_database_code               1526929
loop_
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-x+3/4,-y+1/4,z+1/2
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z,x,y
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z,-y+1/4,-x-3/4
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
Mn1 Mn+2 0.125 0.125 0.125 0.78 0.0
O1 O-2 0.2552 0.2552 0.2552 1 0.0
Cu1 Cu+1 0.125 0.125 0.125 0.21 0.0
Cu2 Cu+2 0.5 0.5 0.5 0.4 0.0
Mn2 Mn+3 0.5 0.5 0.5 0.585 0.0
