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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/7/22/26/7222683.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_7222683
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 Hydrothermal single crystal growth and crystal structures of the
 mercury(II) selenates(VI) Hg Se O4, Hg Se O4 * (Hg O) and Hg Se O4 * 2(Hg
 O)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1043
_journal_page_last               1050
_journal_volume                  57
_journal_year                    2002
_chemical_formula_sum            'Hg2 O5 Se'
_chemical_name_systematic        'Hg (Se O4) (Hg O)'
_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                 109.811
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.6247
_cell_length_b                   7.1313
_cell_length_c                   14.8713
_cell_volume                     960.305
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Weil_ZNBSEN_2002_587.cif
_cod_data_source_block           Hg2O5Se1
_cod_original_cell_volume        960.3054
_cod_original_formula_sum        'Hg2 O5 Se1'
_cod_database_code               7222683
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
O3 O-2 0.0666 0.4695 0.1268 1 0.0
Hg4 Hg+2 0.66553 0.38013 0.3565 1 0.0
O6 O-2 0.2468 0.1271 0.1668 1 0.0
Hg3 Hg+2 0.35891 0.13508 0.37772 1 0.0
O9 O-2 0.5583 0.1298 0.3509 1 0.0
O2 O-2 0.063 0.2326 0.2937 1 0.0
Se1 Se+6 0.03994 0.15122 0.38975 1 0.0
O4 O-2 0.2105 0.0882 0.4583 1 0.0
O10 O-2 0.7359 0.3123 0.1985 1 0.0
Hg2 Hg+2 0.33534 0.38026 0.14665 1 0.0
Se2 Se+6 0.65939 0.15274 0.11865 1 0.0
O8 O-2 0.5036 0.2303 0.0451 1 0.0
Hg1 Hg+2 0.00865 0.13512 0.12558 1 0.0
O5 O-2 0.2281 0.5998 0.4412 1 0.0
O1 O-2 0.0265 0.8144 0.0592 1 0.0
O7 O-2 0.3712 0.4626 0.3287 1 0.0
