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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/91/1529122.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_1529122
loop_
_publ_author_name
'Folchnandt, M.'
'Schneck, C.'
'Schleid, T.'
_publ_section_title
;
 Ueber Sesquiselenide der Lanthanoide: Einkristalle von Ce2 Se3 im C-, Gd2
 Se3 im U- und Lu2 Se3 im Z-Typ
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              149
_journal_page_last               155
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Gd2 Se3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.182
_cell_length_b                   4.0348
_cell_length_c                   10.971
_cell_volume                     494.980
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Folchnandt_ZAACAB_2004_108.cif
_cod_data_source_block           Gd2Se3
_cod_original_cell_volume        494.9801
_cod_database_code               1529122
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Se2 Se-2 0.8789 0.25 0.5548 1 0.0
Se3 Se-2 0.2257 0.25 0.199 1 0.0
Se1 Se-2 0.0466 0.25 0.8731 1 0.0
Gd1 Gd+3 0.98713 0.25 0.31359 1 0.0
Gd2 Gd+3 0.30786 0.25 0.50245 1 0.0