#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310488.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_2310488
loop_
_publ_author_name
'Steigmann, G.A.'
'Goodyear, J.'
_publ_section_title
;
 The crystal structure of Al2 Se3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              617
_journal_page_last               619
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'Al2 Se3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.68
_cell_length_b                   6.73
_cell_length_c                   7.32
_cell_volume                     492.695
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Steigmann_ACCRA9_1966_1106.cif
_cod_data_source_block           Al2Se3
_cod_original_cell_volume        492.6951
_cod_database_code               2310488
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
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
Se2 Se-2 0.1667 0.5833 0 1 0.0
Se1 Se-2 0 0.0833 0 1 0.0
Se3 Se-2 0.3333 0.0833 0 1 0.0
Al1 Al+3 0.0416 0.4167 0.125 1 0.0
Al2 Al+3 0.2083 0.9167 0.125 1 0.0
