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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/64/1536447.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_1536447
loop_
_publ_author_name
'Welch, E.J.'
'Yu, C.L.'
'Crawford, N.R.M.'
'Long, J.R.'
_publ_section_title
;
 Synthesis and characterization of the nitrogen-centered trigonal
 prismatic clusters [W6 N Cl18](n-) (n = 1-3)
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              2549
_journal_page_last               2553
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Cl18 N Na W6'
_chemical_name_systematic        'Na (W6 N Cl18)'
_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            2
_cell_length_a                   8.836
_cell_length_b                   8.836
_cell_length_c                   17.84
_cell_volume                     1206.249
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Welch_ACIEF5_2005_1786.cif
_cod_data_source_block           Cl18N1Na1W6
_cod_original_formula_sum        'Cl18 N1 Na1 W6'
_cod_database_code               1536447
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
Cl1 Cl-1 0.1893 1.2724 0.75 1 0.0
W1 W+3 0.1762 1.48085 0.66394 1 0.0
N1 N-3 0.3333 1.6667 0.75 1 0.0
Cl4 Cl-1 -0.0443 1.2242 0.60039 1 0.0
Cl3 Cl-1 0.1064 1.6318 0.57184 1 0.0
Cl2 Cl-1 -0.0627 1.4236 0.75 1 0.0
Na1 Na+1 0 1 0.5 1 0.0
