#------------------------------------------------------------------------------
#$Date: 2015-10-10 00:00:26 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 163539 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/59/1535992.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_1535992
loop_
_publ_author_name
'Verbaere, A.'
'Dion, M.'
'Tournoux, M.'
_publ_section_title
;
 Structures et problemes d'ordre dans des phases Tlx (My Ti1-y) O2
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              156
_journal_page_last               174
_journal_volume                  12
_journal_year                    1975
_chemical_formula_sum            'Mg0.1025 O2 Ti0.8975 Tl0.205'
_chemical_name_systematic        'Tl0.205 (Mg0.1025 Ti0.8975) O2'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.181
_cell_length_b                   10.181
_cell_length_c                   2.975
_cell_volume                     308.367
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Verbaere_RVCMA8_1975_904.cif
_cod_data_source_block           Mg0.1025O2Ti0.8975Tl0.205
_cod_original_cell_volume        308.3669
_cod_database_code               1535992
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-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
-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
Mg1 Mg+2 0.1666 0.3503 0 0.1025 0.0
Tl1 Tl+1 0 0 0.474 0.155 0.0
O2 O-2 0.1646 0.5394 0 1 0.0
O1 O-2 0.2066 0.155 0 1 0.0
Tl2 Tl+1 0 0 0.341 0.155 0.0
Tl3 Tl+1 0 0 0.221 0.1 0.0
Ti1 Ti+4 0.1666 0.3503 0 0.8975 0.0
