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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/1/52/59/1525993.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_1525993
loop_
_publ_author_name
'Meerschaut, A.'
'Lafond, A.'
'Meignen, V.'
'Deudon, C.'
_publ_section_title
;
 Crystal structure and magnetic properties of a new oxyselenide of
 gadolinium and titanium: Gd4 Ti Se4 O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              182
_journal_page_last               187
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'Gd4 O4 Se4 Ti'
_chemical_name_systematic        'Gd4 Ti O4 Se4'
_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                 117.569
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.7878
_cell_length_b                   3.761
_cell_length_c                   9.6639
_cell_volume                     508.667
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Meerschaut_JSSCBI_2001_1717.cif
_cod_data_source_block           Gd4O4Se4Ti1
_cod_original_cell_volume        508.6671
_cod_original_formula_sum        'Gd4 O4 Se4 Ti1'
_cod_database_code               1525993
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 0.3163 0 0.5913 1 0.0
Se1 Se-2 0.62365 0 0.016 1 0.0
Se2 Se-2 0.61553 0.5 0.6318 1 0.0
Ti1 Ti+4 0 0 0 1 0.0
Gd1 Gd+3 0.47535 0 0.66922 1 0.0
O1 O-2 0.449 0.5 0.7801 1 0.0
Gd2 Gd+3 0.27623 0.5 0.6752 1 0.0
