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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/02/1530235.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_1530235
loop_
_publ_author_name
'Kuznetsov, V.Ya.'
'Rogachev, D.L.'
'Sadikov, G.G.'
'Dikareva, L.M.'
'Porai-Koshits, M.A.'
_publ_section_title
;
 Structure of the double fluoride and metaniobate of potassium K F (K Nb
 O3)4. Four types of coordination of the light atoms in the structure
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              142
_journal_page_last               147
_journal_volume                  21
_journal_year                    1980
_chemical_formula_sum            'F K5 Nb4 O12'
_chemical_name_systematic        'K5 (Nb O3)4 F'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.1061
_cell_length_b                   11.817
_cell_length_c                   11.867
_cell_volume                     715.072
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Kuznetsov_ZSTKAI_1980_694.cif
_cod_data_source_block           F1K5Nb4O12
_cod_original_cell_volume        715.0721
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'F1 K5 Nb4 O12'
_cod_database_code               1530235
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,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
Nb1 Nb+5 0.0459 0.35725 0.97591 1 0.0
O3 O-2 0.332 0.3381 0.8811 1 0.0
K3 K+1 0.5 0.5 0.5 1 0.0
K1 K+1 0.0571 0.3554 0.3277 1 0.0
O2 O-2 0.2665 0.3719 0.1163 1 0.0
K2 K+1 0.0575 0.3275 0.6481 1 0.0
O4 O-2 0.8296 0.3969 0.8295 1 0.0
Nb2 Nb+5 0.5299 0.48585 0.85567 1 0.0
O1 O-2 0.7559 0.4595 0.0378 1 0.0
O5 O-2 0.4248 0.2804 0.4981 1 0.0
O6 O-2 0.5998 0.4789 0.2811 1 0.0
F1 F-1 0 0.5 0.5 1 0.0
