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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536310.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_1536310
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           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.1528
_cell_length_b                   16.2291
_cell_length_c                   5.0372
_cell_volume                     911.733
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Weil_JSSCBI_2003_518.cif
_cod_data_source_block           Hg2O3Se1
_cod_original_cell_volume        911.7327
_cod_original_formula_sum        'Hg2 O3 Se1'
_cod_database_code               1536310
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
x+1/2,-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
O2 O-2 0.306 0.205 0.007 1 0.0
Hg2 Hg+1 0.113 -0.08341 0.0393 1 0.0
O3 O-2 0.316 0.101 0.412 1 0.0
Se1 Se+4 0.3231 0.1051 0.0798 1 0.0
Hg1 Hg+1 0.1133 0.24272 0.0404 1 0.0
O1 O-2 0.19 0.071 0.003 1 0.0
