#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/46/1534663.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_1534663
loop_
_publ_author_name
'Assoud, A.'
'Meyer, G.'
_publ_section_title
;
 Sn Al2 O Cl6, ein quaternaeres Oxidchlorid mit kantenverknuepften (Al4 O2
 Cl10)-Tetrameren und ((Sn Cl2/2 Cl5)2)-Dimeren
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              921
_journal_page_last               924
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Al2 Cl6 O Sn'
_chemical_name_systematic        'Sn Al2 O Cl6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.421
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4231
_cell_length_b                   12.2575
_cell_length_c                   9.4842
_cell_volume                     1088.588
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Assoud_ZAACAB_2001_147.cif
_cod_data_source_block           Al2Cl6O1Sn1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Al2 Cl6 O1 Sn1'
_cod_database_code               1534663
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
Cl4 Cl-1 0.16784 -0.22271 0.49508 1 0.0
Cl1 Cl-1 0.12645 0.01895 0.68859 1 0.0
Sn1 Sn+2 0.20673 0.02499 0.98491 1 0.0
Cl2 Cl-1 0.03315 -0.13583 0.02123 1 0.0
Cl6 Cl-1 0.44814 -0.12335 0.21774 1 0.0
Cl3 Cl-1 0.2508 0.0988 0.30749 1 0.0
Al2 Al+3 0.27098 -0.10977 0.63873 1 0.0
Cl5 Cl-1 0.35732 -0.17146 0.83884 1 0.0
O1 O-2 0.4109 -0.05282 0.5555 1 0.0
Al1 Al+3 0.42141 -0.00772 0.3764 1 0.0
