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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2004854.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_2004854
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1070
_journal_page_last     1072
_publ_section_title
;
Mercury(II) Selenite Hemihydrate
;
_chemical_formula_sum     'H2 Hg2 O7 Se2'
_chemical_formula_structural     '(Hg Se O3)2 H2 O'
_chemical_formula_weight     673.11
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,1/2+y,1/2-z'
'-x,-y,-z'
'x,1/2-y,1/2+z'
_symmetry_space_group_name_h-m     'P 21/c'
_cell_length_a     5.034(2)
_cell_length_b     13.281(2)
_cell_length_c     11.507(3)
_cell_angle_alpha     90
_cell_angle_beta     92.04(3)
_cell_angle_gamma     90
_cell_volume     768.8(4)
_cell_formula_units_z     4
_exptl_crystal_density_diffrn     5.81
_cell_measurement_temperature     294
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg1  .2518(2)  .02260(6)  .36781(7)  .0248(3)
Hg2  .7070(2)  .18874(7)  .22898(7)  .0282(3)
Se1  .2260(4)  .1344(2)  .6136(2)  .0234(9)
Se2  .2659(4)  .0675(2)  .0934(2)  .0269(9)
O1  .268(3)  .0070(10)
                      .6060(10)
                               .033(8)
O2 -0.105(3)  .1410(10)
                       .6230(10)
                                .024(6)
O3  .269(3)  .1620(10)
                      .4710(10)
                               .032(8)
O4  .292(4)  -.0340(10)
                       .1770(10)
                                .037(9)
O5  .586(3)  .1080(10)
                      .0830(10)
                               .029(8)
O6  .174(3)  .1500(10)
                      .1970(10)
                               .043(9)
O7  .772(4)  .2610(10)
                      .3870(10)
                               .045(9)