#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010348.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
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  01
_journal_page_last  03
_publ_section_title
;
Lead Diselenite
;
loop_
_publ_author_name
  'Koskenlinna, Markus'
  'Valkonen, Jussi'
_chemical_name_common  'Lead diselenite'
_chemical_formula_moiety  'Pb2 Se2 O5'
_chemical_formula_sum  'O5 Pb Se2'
_chemical_formula_structural  'Pb (Se2 O5)'
_chemical_formula_weight  445.11
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
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'
_cell_length_a  4.5150(10)
_cell_length_b  9.503(3)
_cell_length_c  11.618(2)
_cell_angle_alpha  90
_cell_angle_beta  90.330(10)
_cell_angle_gamma  90
_cell_volume  498.5(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  5.93
_diffrn_ambient_temperature  295
_refine_ls_R_factor_obs  .034
_refine_ls_wR_factor_obs  .043
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_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Pb 0.0181(2) 0.0127(2) 0.0114(2) -0.0009(2) 0.0002(2) 0.0014(2)
  Se1 0.0139(5) 0.0076(4) 0.0083(4) 0.0005(4) 0.0018(4) -0.0009(4)
  Se2 0.0113(5) 0.0102(5) 0.0082(4) 0.0004(4) 0.0007(4) 0.0016(4)
  O1 0.034(5) 0.015(4) 0.019(4) 0.003(5) 0.007(4) -0.008(4)
  O2 0.017(4) 0.016(4) 0.021(4) 0.003(4) -0.002(4) 0.005(4)
  O3 0.008(3) 0.020(4) 0.015(4) -0.001(4) -0.001(3) -0.009(4)
  O4 0.017(4) 0.026(5) 0.016(4) 0.001(4) 0.003(3) -0.006(4)
  O5 0.028(5) 0.013(4) 0.011(4) -0.005(4) 0.003(4) -0.003(3)
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