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#$Date: 2015-10-13 16:37:19 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167180 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538547.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_1538547
loop_
_publ_author_name
'Salomons, W.'
'Wiegers, G.A.'
_publ_section_title
;
 The system zirconium-selenium. Structures of the phases Zr3 Se4 and Zr2
 Se3
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              1339
_journal_page_last               1344
_journal_volume                  87
_journal_year                    1968
_chemical_formula_sum            'Se4 Zr2.46'
_chemical_name_systematic        'Zr2.46 Se4'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.744
_cell_length_b                   3.744
_cell_length_c                   12.51
_cell_volume                     151.866
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Salomons_RTCPA3_1968_1645.cif
_cod_data_source_block           Se4Zr2.46
_cod_original_cell_volume        151.8657
_cod_database_code               1538547
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,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
Zr2 Zr 0.3333 0.6667 0.111 0.23 0.0
Se1 Se 0 0 0 1 0.0
Se2 Se 0.3333 0.6667 0.242 1 0.0
Zr1 Zr 0.3333 0.6667 0.372 1 0.0
