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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/4/12/47/4124704.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_4124704
loop_
_publ_author_name
'Williams, M.B.'
'Hoard, J.L.'
_publ_section_title
;
 Structures of complex fluorides. Potassium oxyhexafluorocolumbate, K3 Cb
 O F6
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1139
_journal_page_last               1141
_journal_volume                  64
_journal_year                    1942
_chemical_formula_sum            'F6 K3 Nb O'
_chemical_name_systematic        'K3 (Nb O F6)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.87
_cell_length_b                   8.87
_cell_length_c                   8.87
_cell_volume                     697.864
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Williams_JACSAT_1942_1470.cif
_cod_data_source_block           F6K3Nb1O1
_cod_original_cell_volume        697.8641
_cod_original_formula_sum        'F6 K3 Nb1 O1'
_cod_database_code               4124704
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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
O1 O-2 0.11 0.11 0.11 0.125 0.0
Nb1 Nb+5 0.98 0.98 0.98 0.125 0.0
F2 F-1 0.76 0.93 0.98 0.0625 0.0
K1 K+1 0.28 0.28 0.28 0.25 0.0
K2 K+1 0.52 0.52 0.52 0.125 0.0
F1 F-1 0.19 0.95 0.9 0.0625 0.0
