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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/70/1537071.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_1537071
loop_
_publ_author_name
'Zheng, Y.-Q.'
'Grin', Yu.'
'von Schnering, H.G.'
'Chang, J.-H.'
'Engelhardt, G.'
'Heckmann, G.'
_publ_section_title
;
 The carbon-centered triprismo-hexatungsten chlorides C W6 Cl16 and C W6
 Cl18
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1256
_journal_page_last               1264
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'C Cl18 W6'
_chemical_name_systematic        'C (Cl6 (Cl3 (W Cl)3)2)'
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.923
_cell_length_b                   8.923
_cell_length_c                   17.503
_cell_volume                     1206.882
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Zheng_ZAACAB_2003_986.cif
_cod_data_source_block           C1Cl18W6
_cod_original_formula_sum        'C1 Cl18 W6'
_cod_database_code               1537071
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
y,x,z+1/2
x-y,-y,-z
-x,-x+y,z+1/2
y,x,-z
x-y,-y,z+1/2
-x,-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
Cl1 Cl-1 0.4802 0.415 0.25 1 0.0
W1 W+3 0.4963 0.64056 0.33369 1 0.0
Cl4 Cl-1 0.303 0.4387 0.4228 1 0.0
Cl3 Cl-1 0.7123 0.607 0.398 1 0.0
C1 C 0.3333 0.6667 0.25 1 0.0
Cl2 Cl-1 0.7325 0.8325 0.25 1 0.0
