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#$Date: 2015-07-08 16:54:31 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141135 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106066.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_2106066
loop_
_publ_author_name
'Stork-Blaisse, B.A.'
'Romers, C.'
_publ_section_title
;
 The Crystal Structure of Al Se Cl7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              386
_journal_page_last               392
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Al Cl7 Se'
_chemical_name_systematic        'Al Se Cl7'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                139.9
_cell_angle_beta                 94.8
_cell_angle_gamma                93.8
_cell_formula_units_Z            2
_cell_length_a                   9.87
_cell_length_b                   8.27
_cell_length_c                   9.83
_cell_volume                     504.294
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Stork-Blaisse_ACBCAR_1971_1549.cif
_cod_data_source_block           Al1Cl7Se1
_cod_original_cell_volume        504.2944
_cod_chemical_formula_sum_orig   'Al1 Cl7 Se1'
_cod_database_code               2106066
loop_
_symmetry_equiv_pos_as_xyz
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
Cl3 Cl-1 0.996 0.471 0.128 1 0.0
Cl6 Cl-1 0.2965 0.304 0.288 1 0.0
Cl5 Cl-1 0.806 0.835 0.785 1 0.0
Cl1 Cl-1 0.048 0.667 0.878 1 0.0
Cl10 Cl-1 0.442 0.783 0.879 1 0.0
Se1 Se+4 0 0 0 1 0.0
Se2 Se+4 0.7463 0.3436 0.7871 1 0.0
Cl11 Cl-1 0.6807 0.549 0.98 1 0.0
Cl14 Cl-1 0.628 0.421 0.26 1 0.0
Cl7 Cl-1 0.49 0.985 0.643 1 0.0
Cl13 Cl-1 0.8713 0.024 0.544 1 0.0
Cl9 Cl-1 0.577 0.16 0.411 1 0.0
Al2 Al+3 0.484 0.167 0.208 1 0.0
Al1 Al+3 0.046 0.857 0.456 1 0.0
Cl12 Cl-1 0.204 0.075 0.48 1 0.0
Cl4 Cl-1 0.927 0.158 0.266 1 0.0
Cl8 Cl-1 0.367 0.489 0.028 1 0.0
Cl2 Cl-1 0.132 0.849 0.656 1 0.0