#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006189.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_2006189
_journal_name_full 'Acta Crystallographica'
_journal_year 1997
_journal_volume C53
_journal_page_first 666
_journal_page_last 668
_publ_section_title
;
A New Acid Selenite: Mg(HSeO~3~)~2~
;
loop_
_publ_author_name
 'Boldt, Kai'
 'Engelen, Bernward'
 'Unterderweide, Klaus'
_chemical_name_common 'Magnesium hydrogen selenite'
_chemical_formula_moiety '(Mg 2+), (H O3 Se 1-)2'
_chemical_formula_sum 'H2 Mg O6 Se2'
_chemical_formula_structural 'Mg(SeO~2~OH)~2~'
_chemical_formula_weight 280.25
_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 9.0910(10)
_cell_length_b 5.2310(10)
_cell_length_c 5.5700(10)
_cell_angle_alpha 90.00
_cell_angle_beta 90.940(10)
_cell_angle_gamma 90.00
_cell_volume 264.85(8)
_cell_formula_units_Z 2
_cell_measurement_temperature 293(2)
_exptl_crystal_density_diffrn 3.514
_diffrn_ambient_temperature 293(2)
_refine_ls_R_factor_obs  .0235
_refine_ls_wR_factor_obs  .0547
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
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
 Mg 0 0 0  .01306(12) Uani d S 1 . Mg
 Se  .16547(2)  .18155(3)  .49075(3)  .01358(4) Uani d . 1 . Se
 O1  .28165(13)  .4209(3)  .4595(3)  .0225(2) Uani d . 1 . O
 O2  .03231(13)  .2497(3)  .2852(2)  .0169(2) Uani d . 1 . O
 O3  .06773(15)  .2828(2)  .7501(2)  .0187(2) Uani d . 1 . O
 H  .038(4) .425(7) .725(6) .041(9) Uiso d . 1 . H
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
 Mg  .0121(3)  .0156(3)  .0115(3)  .0008(2)  .0002(2)  -.0009(2)
 Se  .01196(5)  .01506(6)  .01371(6)  -.00022(5)  .00015(3)  .00070(5)
 O1  .0138(4)  .0271(6)  .0264(6)  -.0076(4)  -.0005(4)  .0029(5)
 O2  .0164(4)  .0185(4)  .0156(4)  .0025(4)  -.0034(3)  -.0036(4)
 O3  .0256(5)  .0174(5)  .0134(4)  .0024(4)  .0050(4)  .0016(4)
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
 Mg O1 4 2.0366(12) yes
 Mg O1 2_545 2.0366(12) yes
 Mg O2 . 2.0738(12) yes
 Mg O2 3 2.0738(12) yes
 Mg O3 3_556 2.1291(13) yes
 Mg O3 1_554 2.1291(13) yes
 Se O1 . 1.6490(13) yes
 Se O2 . 1.6906(12) yes
 Se O3 . 1.7883(12) yes
 Se O1 2_545 2.9016(15) ?
 Se O2 3_556 3.1548(14) ?
 O1 Mg 2 2.0366(12) ?
 O1 O2 . 2.610(2) ?
 O1 O3 . 2.651(2) ?
 O1 O2 2 2.784(2) ?
 O1 O3 2_556 2.829(2) ?
 O1 Se 2 2.9016(15) ?
 O1 O2 4_656 3.024(2) ?
 O1 O3 4_655 3.059(2) ?
 O2 O3 . 2.610(2) ?
 O2 O3 3_566 2.616(2) ?
 O2 O1 2_545 2.784(2) ?
 O2 O3 3_556 2.936(2) ?
 O2 O3 1_554 3.008(2) ?
 O2 O1 4 3.024(2) ?
 O2 Se 3_556 3.1548(14) ?
 O3 Mg 1_556 2.1291(13) ?
 O3 O2 3_566 2.616(2) yes
 O3 O1 2_546 2.829(2) ?
 O3 O2 3_556 2.936(2) ?
 O3 O2 1_556 3.008(2) ?
 O3 O1 4_556 3.059(2) ?
 O3 H .  .80(4) yes
 H O2 3_566 1.82(4) yes