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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107195.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_2107195
loop_
_publ_author_name
'Thewalt, U.'
'Berhalter, K.'
'Mueller, P.'
_publ_section_title
;
 Dithionitryl-tetrachloroaluminat
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1280
_journal_page_last               1282
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Al Cl4 N S2'
_chemical_name_systematic        'N S2 Al Cl4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.908
_cell_length_b                   7.291
_cell_length_c                   11.069
_cell_volume                     880.320
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Thewalt_ACBCAR_1982_1717.cif
_cod_data_source_block           Al1Cl4N1S2
_cod_original_cell_volume        880.3201
_cod_original_formula_sum        'Al1 Cl4 N1 S2'
_cod_database_code               2107195
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Cl3 Cl-1 -0.0483 0.25 0.4158 1 0.0
S2 S-2 0.3348 0.75 0.4286 1 0.0
S1 S-2 0.3735 0.75 0.1661 1 0.0
Cl2 Cl-1 0.2692 0.25 0.4072 1 0.0
Al1 Al+3 0.1072 0.25 0.299 1 0.0
N1 N+5 0.3537 0.75 0.2969 1 0.0
Cl1 Cl-1 0.1062 0.0143 0.186 1 0.0
