#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/03/2010348.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_2010348
loop_
_publ_author_name
'Koskenlinna, Markus'
'Valkonen, Jussi'
_publ_section_title
;
Lead Diselenite
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              01
_journal_page_last               03
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'Pb2 Se2 O5'
_chemical_formula_structural     'Pb (Se2 O5)'
_chemical_formula_sum            'O5 Pb Se2'
_chemical_formula_weight         445.11
_chemical_name_common            'Lead diselenite'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 90.330(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.5150(10)
_cell_length_b                   9.503(3)
_cell_length_c                   11.618(2)
_cell_measurement_temperature    295
_cell_volume                     498.5(2)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    5.93
_refine_ls_R_factor_obs          .034
_refine_ls_wR_factor_obs         .043
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010348
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
Pb 0.20460(10) 0.04305(5) 0.65436(4) 0.00352(4) Uani
Se1 0.7262(3) 0.35450(10) 0.58060(10) 0.00250(10) Uani
Se2 0.2938(3) 0.24970(10) 0.38720(10) 0.00250(10) Uani
O1 0.656(2) 0.4570(10) 0.6924(9) 0.0060(10) Uani
O2 0.757(2) 0.1930(10) 0.6354(9) 0.0050(10) Uani
O3 0.345(2) 0.3430(10) 0.5235(8) 0.0040(10) Uani
O4 0.641(2) 0.2320(10) 0.3462(8) 0.0050(10) Uani
O5 0.212(2) 0.0900(10) 0.4421(8) 0.0040(10) Uani
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pb O1 2_546 2.556(10) yes
Pb O1 2_646 3.479(10) yes
Pb O2 1_455 2.483(10) yes
Pb O2 . 2.884(10) yes
Pb O3 . 3.291(10) yes
Pb O4 3_656 2.709(11) yes
Pb O4 4_455 3.100(10) yes
Pb O5 . 2.507(9) yes
Pb O5 3_556 2.522(10) yes
Pb O5 3_656 3.136(10) yes
Se1 O1 . 1.655(10) yes
Se1 O2 . 1.665(10) yes
Se1 O3 . 1.843(9) yes
Se2 O3 . 1.827(9) yes
Se2 O4 . 1.652(10) yes
Se2 O5 . 1.689(10) yes
