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#$Date: 2015-07-11 16:19:11 +0300 (Sat, 11 Jul 2015) $
#$Revision: 144862 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/41/1524179.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_1524179
loop_
_publ_author_name
'Cadee, M.C.'
'Prodan, A.'
_publ_section_title
;
 Tripeling of the short axis in the Hollandite structure
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              613
_journal_page_last               618
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'Ba3.685 Cr7.315 O44 Ru14.685'
_chemical_name_systematic        'Ba3.685 Ru14.685 Cr7.315 O44'
_space_group_IT_number           75
_symmetry_space_group_name_Hall  'P 4'
_symmetry_space_group_name_H-M   'P 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.888
_cell_length_b                   9.888
_cell_length_c                   9.121
_cell_volume                     891.783
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Cadee_MRBUAC_1979_391.cif
_cod_data_source_block           Ba3.685Cr7.315O44Ru14.685
_cod_original_cell_volume        891.7833
_cod_database_code               1524179
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
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
Cr2 Cr+3 0.667 0.848 0.8333 0.9144 0.0
Ru4 Ru+4 0.667 0.848 0.5 0.9178 0.0
O6 O-2 0.708 0.652 0.5 1 0.0
Cr1 Cr+3 0.167 0.348 0.6667 0.9144 0.0
Ru1 Ru+4 0.167 0.348 0 0.9178 0.0
O5 O-2 0.208 0.152 0.3333 1 0.0
O10 O-2 0.708 0.652 0.8333 1 0.0
O2 O-2 0.152 0.542 0 1 0.0
Ba4 Ba+2 0 0 0.8333 0.9212 0.0
O4 O-2 0.652 0.042 0.1667 1 0.0
O11 O-2 0.652 0.042 0.8333 1 0.0
O3 O-2 0.708 0.652 0.1667 1 0.0
Ru2 Ru+4 0.667 0.848 0.1667 0.9178 0.0
Ba3 Ba+2 0.5 0.5 0.6667 0.9212 0.0
Ba1 Ba+2 0.5 0.5 0.3333 0.9212 0.0
O8 O-2 0.208 0.152 0.6667 1 0.0
O1 O-2 0.208 0.152 0 1 0.0
Ru3 Ru+4 0.167 0.348 0.3333 0.9178 0.0
O9 O-2 0.152 0.542 0.6667 1 0.0
Ba2 Ba+2 0 0 0.5 0.9212 0.0
O7 O-2 0.652 0.042 0.5 1 0.0
