#------------------------------------------------------------------------------
#$Date: 2015-09-28 11:13:58 +0100 (Mon, 28 Sep 2015) $
#$Revision: 158549 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532608.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_1532608
loop_
_publ_author_name
'James, M.'
'Carter, M.L.'
'Watson, J.N.'
_publ_section_title
;
 The synthesis, crystal chemistry and structures of Y-doped brannerite
 (U1-x Yx Ti2 O6) and thorutite (Th1-x Yx Ti2 O6-d) phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              329
_journal_page_last               333
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'O5.955 Th0.91 Ti2 Y0.09'
_chemical_name_systematic        '(Th0.91 Y0.09) (Ti2 O5.955)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.37
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8002
_cell_length_b                   3.751
_cell_length_c                   6.999
_cell_volume                     226.386
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            James_JSSCBI_2003_135.cif
_cod_data_source_block           O5.955Th0.91Ti2Y0.09
_cod_original_cell_volume        226.3863
_cod_database_code               1532608
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O2 O-2 0.6563 0 0.1109 1 0.0
Y1 Y+3 0 0 0 0.09 0.0
Ti1 Ti+4 0.8265 0 0.398 1 0.0
O1 O-2 0.9782 0 0.314 1 0.0
Th1 Th+4 0 0 0 0.91 0.0
O3 O-2 0.282 0 0.4083 1 0.0