#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107134.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107134
loop_
_publ_author_name
'Renninger, A.L.'
'Averbach, B.L.'
_publ_section_title
;
 Crystalline structures of As2 Se and As4 Se4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1583
_journal_page_last               1589
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'As4 Se4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.69
_cell_length_b                   13.86
_cell_length_c                   10
_cell_volume                     852.254
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Renninger_ACBCAR_1973_1018.cif
_cod_data_source_block           As4Se4
_cod_original_cell_volume        852.2535
_cod_database_code               2107134
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Se4 Se-2 0.067 -0.215 0.115 1 0.0
Se1 Se-2 0.6601 0.0077 0.3374 1 0.0
Se3 Se-2 0.608 -0.225 0.245 1 0.0
As3 As+2 0.1718 -0.1293 0.3325 1 0.0
As4 As+2 0.338 -0.1528 0.0364 1 0.0
Se2 Se-2 0.093 0.024 0.213 1 0.0
As1 As+2 0.3595 0.0185 0.1088 1 0.0
As2 As+2 0.5627 -0.142 0.4337 1 0.0
