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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014001.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_9014001
loop_
_publ_author_name
'Collomb, A.'
'Wolfers, P.'
'Obradors, X.'
_publ_section_title
;
 Neutron diffraction studies of some hexagonal ferrites:
 BaFe12O19, BaMg2-W and CaCo2-W
 Note: T = 470 C, neutron, refined with Rietveld
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              57
_journal_page_last               67
_journal_paper_doi               10.1016/0304-8853(86)90734-1
_journal_volume                  62
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Fe12 O19'
_chemical_name_mineral           Barioferrite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.9291
_cell_length_b                   5.9281
_cell_length_c                   23.407
_cell_formula_units_Z            2
_cell_volume                     712.493
_database_code_amcsd             0013058
_diffrn_ambient_temperature      743.15
_exptl_crystal_density_diffrn    5.181
_cod_database_code               9014001
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
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
Ba 0.66667 0.33333 0.25000 1.00000 0.01267
Fe1 0.00000 0.00000 0.00000 1.00000 0.01646
Fe2 0.00000 0.00000 0.26100 0.50000 0.00253
Fe3 0.33333 0.66667 0.02700 1.00000 0.01267
Fe4 0.33333 0.66667 0.19080 1.00000 0.00507
Fe5 0.16710 0.33420 -0.10800 1.00000 0.01520
O1 0.00000 0.00000 0.14920 1.00000 0.00633
O2 0.33333 0.66667 -0.05470 1.00000 0.01013
O3 0.18100 0.36200 0.25000 1.00000 0.00887
O4 0.15590 0.31180 0.05170 1.00000 0.00887
O5 0.50130 1.00260 0.14910 1.00000 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013058
