#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/51/1535197.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_1535197
loop_
_publ_author_name
'Berg, R.W.'
'von Barner, J.H.'
'Christensen, E.'
'Nielsen, K.'
_publ_section_title
;
 Crystal Stucture and IR and Raman Spectra of alpha-CsNbF6
;
_journal_name_full
;
Progress in Molten Salt Chemistry 1, ISBN: 2-84299-249-0, Elsevier
;
_journal_page_first              1
_journal_page_last               1
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'Cs F6 Nb'
_chemical_name_systematic        'Cs (Nb F6)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.866
_cell_length_b                   7.866
_cell_length_c                   8.162
_cell_volume                     437.356
_citation_journal_id_ASTM        PIMSCX
_cod_data_source_file            Berg_PIMSCX_2000_618.cif
_cod_data_source_block           Cs1F6Nb1
_cod_original_formula_sum        'Cs1 F6 Nb1'
_cod_database_code               1535197
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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 0 0 1 0.0
F1 F-1 0.1761 -0.2749 0.0319 1 0.0
Nb1 Nb+5 0 0 -0.5 1 0.0
