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#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/00/2010004.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_2010004
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1994
_journal_volume 50
_journal_page_first  1381
_journal_page_last  1384
_publ_section_title
;
Cadmium Diselenite and Cadmium Hydrogenselenite Selenite
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Valkonen, J.'
_chemical_formula_sum            'Cd O5 Se2'
_[local]_cod_chemical_formula_sum_orig 'Cd1 O5 Se2'
_chemical_formula_weight  350.32
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '-x,+y,-1/2-z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2-y,-z'
_cell_length_a  8.024(3)
_cell_length_b  11.3190(10)
_cell_length_c  6.0200(10)
_cell_angle_alpha  90.
_cell_angle_beta  119.38(2)
_cell_angle_gamma  90.
_cell_volume  476.5(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  4.88
_refine_ls_R_factor_obs  2.8
_refine_ls_wR_factor_obs  3.3
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Cd .000 .58867(3) .250 .00284(3)
  Se .14441(5) .14053(3) .61859(6) .00314(3)
  O(1) .1978(4) .2774(3) .7229(6) .0045(3)
  O(2) .3396(4) .0647(3) .8175(5) .0043(3)
  O(3) .000 .0865(5) .750 .0111(6)
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
  Cd O(1) 2_566 2.258(3) yes
  Cd O(2) 5_454 2.285(3) yes
  Cd O(2) 6_556 2.313(3) yes
  Se O(1) . 1.647(3) yes
  Se O(2) . 1.668(3) yes
  Se O(3) . 1.801(2) yes
_cod_database_code 2010004