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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/10/1531028.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_1531028
loop_
_publ_author_name
'Zunic, T.B.'
'Scavnicar, S.'
'Grobenski, Z.'
_publ_section_title
;
 The structure of thorium(IV) dititanium(IV) oxide, Th Ti2 O6
;
_journal_name_full
'Documenta Chemica Yugoslavica. Croatica Chemica Acta'
_journal_page_first              645
_journal_page_last               651
_journal_volume                  57
_journal_year                    1984
_chemical_formula_sum            'O6 Th Ti2'
_chemical_name_systematic        'Th Ti2 O6'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.29
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.799
_cell_length_b                   8.57
_cell_length_c                   5.192
_cell_volume                     434.453
_citation_journal_id_ASTM        CCACAA
_cod_data_source_file            Zunic_CCACAA_1984_1230.cif
_cod_data_source_block           O6Th1Ti2
_cod_original_cell_volume        434.4531
_cod_original_formula_sum        'O6 Th1 Ti2'
_cod_database_code               1531028
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Th1 Th+4 0 0.1909 0.25 1 0.0
O2 O-2 0.36 0.088 0.47 1 0.0
Ti1 Ti+4 0.2691 0.0819 0.0598 1 0.0
O1 O-2 0.363 0.459 0.347 1 0.0
O3 O-2 0.14 0.257 0.03 1 0.0