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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/1/53/80/1538073.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_1538073
loop_
_publ_author_name
'Furuseth, S.'
'Brattas, L.'
'Kjekshus, A.'
_publ_section_title
;
 On the crystal structures of Ti S3, Zr S3, Zr Se3, Zr Te3, Hf S3, and Hf
 Se3
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              623
_journal_page_last               631
_journal_volume                  29
_journal_year                    1975
_chemical_formula_sum            'Se3 Zr'
_chemical_name_systematic        'Zr Se3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.48
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4109
_cell_length_b                   3.7488
_cell_length_c                   9.444
_cell_volume                     189.936
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Furuseth_ACAPCT_1975_1980.cif
_cod_data_source_block           Se3Zr1
_cod_original_cell_volume        189.9356
_cod_original_formula_sum        'Se3 Zr1'
_cod_database_code               1538073
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
Se1 Se 0.762 0.25 0.554 1 0.0
Zr1 Zr 0.285 0.25 0.656 1 0.0
Se2 Se 0.456 0.25 0.174 1 0.0
Se3 Se 0.888 0.25 0.169 1 0.0
