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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016207.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_9016207
loop_
_publ_author_name
'Muller, J.'
'Joubert, J.'
'Marezio, M.'
_publ_section_title
;
 Synthese et structure crystalline d'un nouvel oxyde mixte "FeV3O8"
 (Fex V1-x O2; x=approximately 0.25)
 _cod_database_code 1008165
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              191
_journal_page_last               199
_journal_paper_doi               10.1016/0022-4596(79)90157-9
_journal_volume                  27
_journal_year                    1979
_chemical_formula_sum            'Fe0.5 O4 V1.5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.85
_cell_angle_gamma                90
_cell_length_a                   12.129
_cell_length_b                   3.679
_cell_length_c                   6.547
_cell_formula_units_Z            4
_cell_volume                     279.601
_database_code_amcsd             0016105
_exptl_crystal_density_diffrn    3.999
_cod_duplicate_entry             1008165
_cod_original_formula_sum        'Fe.5 V1.5 O4'
_cod_database_code               9016207
_amcsd_formula_title             'Fe O8 V3'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.30749 0.00000 0.72232 0.50000
V1 0.39847 0.00000 0.30474 1.00000
V2 0.30749 0.00000 0.72232 0.50000
O1 0.36780 0.00000 0.98820 1.00000
O2 0.23230 0.00000 0.34380 1.00000
O3 0.44040 0.00000 0.63080 1.00000
O4 0.01389 0.00000 0.71080 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016105
