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#$Date: 2015-10-09 20:17:59 +0200 (vie 09 de oct de 2015) $
#$Revision: 162766 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/54/1535408.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_1535408
loop_
_publ_author_name
'Bolotina, N.B.'
'Dmitrieva, M.T.'
'Rastsvetaeva, R.K.'
_publ_section_title
;
 Modulated structure of a new natural member of hollandite family.
;
_journal_name_full               Kristallografiya
_journal_page_first              598
_journal_page_last               605
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'Ba1.12 O16 Ti8'
_chemical_name_systematic        'Ba1.12 (Ti8 O16)'
_space_group_IT_number           79
_symmetry_space_group_name_Hall  'I 4'
_symmetry_space_group_name_H-M   'I 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.071
_cell_length_b                   10.071
_cell_length_c                   2.962
_cell_volume                     300.421
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bolotina_KRISAJ_1992_1303.cif
_cod_data_source_block           Ba1.12O16Ti8
_cod_database_code               1535408
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
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
Ti1 Ti+3 0.3505 0.1671 -0.009 1 0.0
Ba1 Ba+2 0.5 0.5 0.055 0.386 0.0
O1 O-2 0.154 0.2004 0.005 1 0.0
Ba2 Ba+2 0 0 0.321 0.174 0.0
O2 O-2 0.1663 0.4589 0.001 1 0.0
