#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103791.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_8103791
loop_
_publ_author_name
'Weirich, T.E.'
_publ_section_title
;
 Electron diffraction structure analysis: structural research with
 low-quality diffraction data
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              269
_journal_page_last               278
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Se Ti2'
_chemical_name_systematic        'Ti2 Se'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.708
_cell_length_b                   14.668
_cell_length_c                   3.45
_cell_volume                     592.479
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Weirich_ZEKRDZ_2003_1118.cif
_cod_data_source_block           Se1Ti2
_cod_original_cell_volume        592.4787
_cod_original_formula_sum        'Se1 Ti2'
_cod_database_code               8103791
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
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
Ti4 Ti 0.4639 0.3967 0 1 0.0
Se2 Se 0.2452 0.4152 0 1 0.0
Ti1 Ti 0.1561 0.024 0 1 0.0
Ti6 Ti 0.8733 0.4112 0 1 0.0
Se1 Se 0.4346 0.2092 0 1 0.0
Ti5 Ti 0.804 0.2033 0 1 0.0
Ti2 Ti 0.0826 0.2647 0 1 0.0
Se3 Se 0.6832 0.3481 0 1 0.0
Ti3 Ti 0.5887 0.0755 0 1 0.0
