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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/45/9004555.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_9004555
loop_
_publ_author_name
'Mitchell, R. H.'
'Yakovenchuk, V. N.'
'Chakhmouradian, A. R.'
'Burns, P. C.'
'Pakhomovsky, Y. A.'
_publ_section_title
;
 Henrymeyerite, a new hollandite-type Ba-Fe titanate from the
 Kovdor Complex, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              617
_journal_page_last               626
_journal_paper_doi               10.2113/gscanmin.38.3.617
_journal_volume                  38
_journal_year                    2000
_chemical_compound_source        'Kovdor Complex, Russia'
_chemical_formula_sum
'Ba0.86 Ce0.02 Fe0.52 K0.01 La0.02 Na0.09 O8 Ti3.44'
_chemical_name_mineral           Henrymeyerite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.219
_cell_length_b                   10.219
_cell_length_c                   2.963
_cell_formula_units_Z            2
_cell_volume                     309.420
_database_code_amcsd             0005647
_exptl_crystal_density_diffrn    4.807
_cod_original_formula_sum
'(Ba.86 Na.09 K.01 La.02 Ce.02) Ti3.44 Fe.52 O8'
_cod_database_code               9004555
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba 0.00000 0.00000 0.50000 0.86000
Na 0.00000 0.00000 0.50000 0.09000
K 0.00000 0.00000 0.50000 0.01000
La 0.00000 0.00000 0.50000 0.02000
Ce 0.00000 0.00000 0.50000 0.02000
Ti 0.34985 0.16604 0.00000 0.86000
Fe 0.34985 0.16604 0.00000 0.13000
O1 0.15580 0.20370 0.00000 1.00000
O2 0.53900 0.16720 0.00000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005647
