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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/02/1530271.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_1530271
loop_
_publ_author_name
'Legros, J.P.'
'Galy, J.'
_publ_section_title
;
 Cristallochimie du selenium(+IV). Structure cristalline du compose Se2 Ti
 O6
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              705
_journal_page_last               707
_journal_volume                  286
_journal_year                    1978
_chemical_formula_sum            'O6 Se2 Ti'
_chemical_name_systematic        'Se2 Ti O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.57
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.741
_cell_length_b                   8.2554
_cell_length_c                   6.7547
_cell_volume                     247.516
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Legros_CHDCAQ_1978_232.cif
_cod_data_source_block           O6Se2Ti1
_cod_original_cell_volume        247.5159
_cod_original_formula_sum        'O6 Se2 Ti1'
_cod_database_code               1530271
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-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
Se1 Se+4 0.1346 0.1402 0.3261 1 0.0
Ti1 Ti+4 0.5 0 0 1 0.0
O2 O-2 0.5989 0.5451 0.2505 1 0.0
O3 O-2 0.1571 0.6541 0.4043 1 0.0
O1 O-2 0.2403 0.3406 0.331 1 0.0
