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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/1/53/63/1536313.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_1536313
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 Polymorphism in mercury(I) selenite(IV): preparation, crystal structures
 of alpha-, beta- and gamma-(Hg2 Se O3) and thermal behaviour of the
 alpha- and beta-modification
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              35
_journal_page_last               44
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Hg2 O3 Se'
_chemical_name_systematic        'Hg2 (Se O3)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.4293
_cell_length_b                   11.8522
_cell_length_c                   7.8324
_cell_volume                     968.164
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Weil_JSSCBI_2003_519.cif
_cod_data_source_block           Hg2O3Se1
_cod_original_cell_volume        968.1641
_cod_original_formula_sum        'Hg2 O3 Se1'
_cod_database_code               1536313
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
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
Se1 Se+4 0.03515 0.19879 0 1 0.0
O1 O-2 0.46 0.1749 0 1 0.0
O2 O-2 0.1373 0.2168 0.1678 1 0.0
Hg1 Hg+1 0.33035 0.10656 0.25385 1 0.0
