#------------------------------------------------------------------------------
#$Date: 2015-07-12 17:40:51 +0300 (Sun, 12 Jul 2015) $
#$Revision: 146876 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/58/1525817.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_1525817
loop_
_publ_author_name
'Cordier, S.'
'Hernandez, O.'
'Perrin, C.'
_publ_section_title
;
 Structural influence of fluorine ligand in niobium cluster chemistry :
 crystal structures of K Nb6 Cl10 F5 and Cs Nb6 Cl8 F7
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              205
_journal_page_last               214
_journal_volume                  107
_journal_year                    2001
_chemical_formula_sum            'Cl8.01 Cs1.28 F6.97 Nb6'
_chemical_name_systematic        'Cs1.28 Nb6 (Cl8.01 F3.97) F3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.2743
_cell_length_b                   8.2743
_cell_length_c                   8.2743
_cell_volume                     566.492
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Cordier_JFLCAR_2001_1380.cif
_cod_data_source_block           Cl8.01Cs1.28F6.97Nb6
_cod_original_cell_volume        566.4919
_cod_database_code               1525817
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
Cs1 Cs+1 0.156 0.5 0.5 0.0125 0.0
Cs2 Cs+1 0.468 0.468 0.312 0.0016 0.0
F1 F-1 0 0.2531 0.2531 0.3308 0.0
Cs6 Cs+1 0.315 0.435 0.395 0.0117 0.0
Nb1 Nb+2 0 0 0.24448 1 0.0
Cs3 Cs+1 0.371 0.371 0.5 0.0136 0.0
F2 F-1 0 0 0.5 1 0.0
Cl1 Cl-1 0 0.29341 0.29341 0.6676 0.0
Cs5 Cs+1 0.251 0.5 0.412 0.0164 0.0
Cs4 Cs+1 0.087 0.5 0.44 0.002 0.0
