#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310528.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310528
loop_
_publ_author_name
'Bode, H.'
'von Boehren, H.'
_publ_section_title
;
 Die Kristallstruktur des Kaliumhexafluoroniobats und des
 Kaliumhexafluorotantalats
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              80
_journal_page_last               82
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'F6 K Nb'
_chemical_name_systematic        'K (Nb F6)'
_space_group_IT_number           116
_symmetry_space_group_name_Hall  'P -4 -2c'
_symmetry_space_group_name_H-M   'P -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.18
_cell_length_b                   5.18
_cell_length_c                   10.05
_cell_volume                     269.666
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bode_ACCRA9_1958_253.cif
_cod_data_source_block           F6K1Nb1
_cod_original_cell_volume        269.6656
_cod_original_formula_sum        'F6 K1 Nb1'
_cod_database_code               2310528
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
-x,y,z+1/2
y,x,-z+1/2
x,-y,z+1/2
-y,-x,-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
F2 F-1 0.28 0.13 0.11 1 0.0
F1 F-1 0.29 -0.29 0.25 1 0.0
K1 K+1 0.5 0.5 0 1 0.0
Nb1 Nb+5 0 0 0.25 1 0.0
