#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/20/1542039.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_1542039
loop_
_publ_author_name
'Simon, A.'
'von Schnering, H.G.'
'Schaefer, H.'
'Woehrle, H.'
_publ_section_title
;
 Nb6 Cl14 Synthese, Eigenschaften, Struktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              155
_journal_page_last               170
_journal_volume                  339
_journal_year                    1965
_chemical_formula_sum            'Cl14 Nb6'
_chemical_name_systematic        'Nb6 Cl14'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-B 2 2ab'
_symmetry_space_group_name_H-M   'B b e m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.252
_cell_length_b                   11.019
_cell_length_c                   13.494
_cell_volume                     1821.755
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Simon_ZAACAB_1965_780.cif
_cod_data_source_block           Cl14Nb6
_cod_original_sg_symbol_Hall     '-C 2ac 2 (y,z,x)'
_cod_original_sg_symbol_H-M      'B b c m'
_cod_database_code               1542039
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,z
x,-y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
x,y,-z
-x,y-1/2,z-1/2
x+1/2,y,z+1/2
-x+1/2,y+1/2,-z+1
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,-y,-z+1/2
x+1/2,-y-1/2,z
x+1/2,y,-z+1/2
-x+1/2,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
Cl4 Cl-1 0.239 0.013 0.124 1 0.0
Cl5 Cl-1 0.138 0.25 0.25 1 0.0
Nb1 Nb+2 0.0639 0.1135 0.1098 1 0.0
Cl3 Cl-1 0.4 0.259 0.124 1 0.0
Nb2 Nb+2 0.862 0.0972 0 1 0.0
Cl1 Cl-1 0 0 0.25 1 0.0
Cl2 Cl-1 0.149 0.266 0 1 0.0
