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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536327.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_1536327
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 Preparation and crystal structures of two new modifications of
 mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II)
 selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1153
_journal_page_last               1162
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Hg O3 Se'
_chemical_name_systematic        'Hg (Se O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.06
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.738
_cell_length_b                   9.053
_cell_length_c                   7.146
_cell_volume                     306.316
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Weil_SSSCFJ_2002_682.cif
_cod_data_source_block           Hg1O3Se1
_cod_original_cell_volume        306.3161
_cod_original_formula_sum        'Hg1 O3 Se1'
_cod_database_code               1536327
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Hg1 Hg+2 0.22495 0.17821 0.47355 1 0.0
Se1 Se+4 0.2493 0.56451 0.3166 1 0.0
O3 O-2 0.293 0.6298 0.0952 1 0.0
O2 O-2 0.275 0.3803 0.2709 1 0.0
O1 O-2 0.103 0.0914 0.1733 1 0.0
