#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/39/9013980.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9013980
loop_
_publ_author_name
'Taguchi, H.'
_publ_section_title
;
 Relationship between crystal structure and electrical properties
 of murdochite-type Ni6+2xMn1-xO8
 Sample Number: x = 1.0
;
_journal_name_full               'Solid State Communications'
_journal_page_first              635
_journal_page_last               639
_journal_paper_doi               10.1016/S0038-1098(98)00457-8
_journal_volume                  108
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.995 O'
_chemical_name_mineral           Bunsenite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3532
_cell_length_b                   8.3532
_cell_length_c                   8.3532
_cell_formula_units_Z            32
_cell_volume                     582.852
_database_code_amcsd             0015496
_exptl_crystal_density_diffrn    6.782
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ni.995 O'
_cod_database_code               9013980
loop_
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1/2+x,y,1/2+z
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ni(1) 0.00000 0.25000 0.25000 1.00000 0.00469
Ni(2) 0.00000 0.00000 0.00000 1.04000 0.00469
Ni(3) 0.50000 0.50000 0.50000 0.96000 0.00469
O(1) 0.25000 0.25000 0.25000 1.00000 0.00469
O(2) 0.25200 0.00000 0.00000 1.00000 0.00469
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 156595
2 AMCSD 0015496
