#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002510.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_4002510
loop_
_publ_author_name
'Lahtinen, M.'
'Valkonen, J.'
_publ_section_title
;
 X-ray powder structure determination and thermal behavior of a new
 modification of Pb(II) selenite
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1812
_journal_page_last               1817
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'O3 Pb Se'
_chemical_name_systematic        'Pb (Se O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.032
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.1587
_cell_length_b                   8.0902
_cell_length_c                   8.7932
_cell_volume                     634.758
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Lahtinen_CMATEX_2002_236.cif
_cod_data_source_block           O3Pb1Se1
_cod_original_cell_volume        634.7576
_cod_original_formula_sum        'O3 Pb1 Se1'
_cod_database_code               4002510
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Pb2 Pb+2 0.0045 0.165 0.173 1 0.0
Se2 Se+4 0.681 0.8994 0.0536 1 0.0
O2 O-2 0.6164 0.0509 0.404 1 0.0
O3 O-2 0.842 0.05 0.6389 1 0.0
Se1 Se+4 0.7953 0.0081 0.448 1 0.0
Pb1 Pb+2 0.6042 0.1753 0.727 1 0.0
O5 O-2 0.665 0.1106 0.0404 1 0.0
O4 O-2 0.6641 0.8523 0.8577 1 0.0
O1 O-2 0.8673 0.1729 0.3757 1 0.0
O6 O-2 0.8647 0.8789 0.1203 1 0.0
