#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/78/1527855.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_1527855
loop_
_publ_author_name
'Mueller, U.'
_publ_section_title
;
 Kristallstruktur von Antimontetrachloridcyanurat (Sb Cl4 N C O)3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              141
_journal_page_last               148
_journal_volume                  422
_journal_year                    1976
_chemical_formula_sum            'C Cl4 N O Sb'
_chemical_name_systematic        'Sb Cl4 (N C O)'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.67
_cell_length_b                   11.67
_cell_length_c                   9.95
_cell_volume                     1173.533
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller_ZAACAB_1976_633.cif
_cod_data_source_block           C1Cl4N1O1Sb1
_cod_original_formula_sum        'C1 Cl4 N1 O1 Sb1'
_cod_database_code               1527855
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
N1 N-3 0.372 0.574 0.25 1 0.0
O1 O-2 0.164 0.414 0.25 1 0.0
Cl1 Cl-1 0.1845 0.138 0.25 1 0.0
Cl3 Cl-1 0.3119 0.3761 0.0185 1 0.0
Sb1 Sb+5 0.31844 0.36195 0.25 1 0.0
C1 C+4 0.24 0.537 0.25 1 0.0
Cl2 Cl-1 0.5277 0.3913 0.25 1 0.0
