#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/30/2003015.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_2003015
loop_
_publ_author_name
'Sciau, Philippe'
'Calvarin, Gilbert'
'Ravez, Jean'
_publ_section_title
;
 Structures des phases para\'electrique et ferro\'electrique de
 Pb~2~KNb~5~O~15~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              459
_journal_page_last               466
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum     'K Nb5 O15 Pb2'
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'C m 2 m'
_symmetry_space_group_name_Hall     'C -2 -2'
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,y,-z'
    '-x,y,z'
    'x,y,-z'
    '1/2+x,1/2+y,z'
    '1/2-x,1/2+y,-z'
    '1/2-x,1/2+y,z'
    '1/2+x,1/2+y,-z'
_cell_length_a     17.7560(10)
_cell_length_b     18.0190(10)
_cell_length_c     3.9141(2)
_cell_angle_alpha     90.00000
_cell_angle_beta      90.00000
_cell_angle_gamma     90.00000
_cell_formula_units_Z     4
_cell_measurement_temperature     81
_diffrn_radiation_type     'CuK\b'
_diffrn_radiation_wavelength     1.39217
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    K(p1) 0.329(3) -0.010(3) 0.5
    K(p2) 0 0.160(4) 0.5
    K(p3) 0.5 0.358(4) 0.5
    Pb(p1) 0.3263(4) 0.0356(5) 0.5
    Pb(p2) -0.0116(9) 0.1993(6) 0.5
    Pb(p3) 0.4725(6) 0.3395(8) 0.5
    Pb/K(c) 0.2508(4) 0.2526(5) 0.5
    Nb(1) 0 0 0
    Nb(2) 0 0.5009(9) 0
    Nb(3) 0.1791(4) 0.1087(6) 0
    Nb(4) 0.3182(5) 0.3979(6) 0
    Nb(5) 0.3937(5) 0.1815(6) 0
    Nb(6) 0.1066(4) 0.3234(6) 0
    O(1) 0 -0.021(3) 0.5
    O(2) 0.5 -0.014(3) 0.5
    O(3) 0.194(3) 0.104(3) 0.5
    O(4) 0.324(3) 0.375(3) 0.5
    O(5) 0.402(3) 0.182(3) 0.5
    O(6) 0.121(3) 0.304(3) 0.5
    O(7) 0.079(3) 0.074(3) 0
    O(8) 0.181(3) 0.220(2) 0
    O(9) 0.214(2) 0.005(4) 0
    O(10) 0.289(3) 0.138(3) 0
    O(11) 0.416(3) 0.061(3) 0
    O(12) 0.5 0.210(4) 0
    O(13) 0 0.275(3) 0
    O(14) 0.071(3) 0.424(3) 0
    O(15) 0.210(3) 0.336(3) 0
    O(16) 0.357(3) 0.275(3) 0
    O(17) 0.425(3) 0.411(3) 0
_cod_database_code 2003015