#------------------------------------------------------------------------------
#$Date: 2016-11-15 08:17:09 +0100 (mar 15 de nov de 2016) $
#$Revision: 188459 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/45/1544561.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_1544561
loop_
_publ_author_name
'Sugimoto, W.'
'Mimuro, K.'
'Sugahara, Y.'
'Kuroda, K.'
_publ_section_title
;
 Synthesis and structural study of the KNb4O6-type compound
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              318
_journal_page_last               321
_journal_volume                  107
_journal_year                    1999
_chemical_formula_sum            'K Nb4 O6'
_chemical_name_common            KNb4O6
_space_group_IT_number           123
_space_group_name_H-M_alt        'P 4/m m m'
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.1396(6)
_cell_length_b                   4.1396(6)
_cell_length_c                   8.256(1)
_cell_volume                     141.48(3)
_cod_data_source_file            KNb4O6.cif
_cod_data_source_block           KNb4O6
_cod_database_code               1544561
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-y, x, z'
'y, -x, -z'
'y, -x, z'
'-y, x, -z'
'-x, y, -z'
'x, -y, z'
'x, -y, -z'
'-x, y, z'
'y, x, -z'
'-y, -x, z'
'-y, -x, -z'
'y, x, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
K 1.0 0.000000 0.000000 0.000000 Biso 1.000000 K
Nb1 1.0 0.000000 0.500000 0.500000 Biso 1.000000 Nb
Nb2 1.0 0.500000 0.500000 0.2418(4) Biso 1.000000 Nb
O1 1.0 0.500000 0.500000 0.000000 Biso 1.000000 O
O2 1.0 0.500000 0.000000 0.247(2) Biso 1.000000 O
O3 1.0 0.000000 0.000000 0.500000 Biso 1.000000 O
