#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2003013.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_2003013
_journal_name_full               'Acta Crystallographica, Section B'
_journal_volume                  54
_journal_year     1999
_journal_page_first     459
_journal_page_last     466
loop_
_publ_author_name
;
Sciau Philippe
;
_chemical_formula_sum     'K Nb5 O15 Pb2'
_symmetry_cell_setting     tetragonal
_symmetry_space_group_name_H-M     'P 4/mbm'
_symmetry_space_group_name_Hall     '-P 4 2ab'
loop_
    _symmetry_equiv_pos_as_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'
    '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'
    '1/2-y,1/2-x,z'
    '-1/2+y,-1/2+x,-z'
    '1/2+y,1/2+x,z'
    '-1/2-y,-1/2-x,-z'
_cell_length_a     12.6460(10)
_cell_length_b     12.6460(10)
_cell_length_c     3.9551(2)
_cell_angle_alpha     90.00000
_cell_angle_beta      90.00000
_cell_angle_gamma     90.00000
_cell_formula_units_Z     2
_cell_measurement_temperature     790
_diffrn_radiation_type     neutron
_diffrn_radiation_wavelength     1.985
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_occupancy
    Pb(p) 0.1428(7) 0.6907(6) 0.5 0.55
    K(p) 0.1886(17) 0.6886(17) 0.5 0.45
    Pb(c) 0 0 0.5 0.90
    K(c) 0 0 0.5 0.10
    Nb(1) 0 0.5 0 1
    Nb(2) 0.0746(2) 0.2139(2) 0 1
    O(1) 0 0.5 0.5 1
    O(2) -0.0037(2) 0.3449(2) 0 1
    O(3) 0.0758(2) 0.2058(2) 0.5 1
    O(4) 0.2150(2) 0.2850(2) 0 1
    O(5) 0.1400(2) 0.0684(2) 0 1
_cod_database_code 2003013