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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536330.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_1536330
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            'Hg4 O9 Se4'
_chemical_name_systematic        '(Hg (Se O3))3 (Hg Se)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.569
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6309
_cell_length_b                   10.2257
_cell_length_c                   11.7515
_cell_volume                     1155.075
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Weil_SSSCFJ_2002_683.cif
_cod_data_source_block           Hg4O9Se4
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1536330
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
O5 O-2 0.3658 0.3121 0.7644 1 0.0
Se3 Se+4 0.24126 0.4715 0.50008 1 0.0
Se1 Se-2 0.9808 0.23362 0.83667 1 0.0
Hg4 Hg+2 0.04011 0.04753 0.70803 1 0.0
O3 O-2 0.5756 0.3596 0.6412 1 0.0
O1 O-2 0.2349 0.0328 0.6128 1 0.0
O9 O-2 0.1089 0.0737 0.4063 1 0.0
O4 O-2 0.2168 0.542 0.6316 1 0.0
O6 O-2 0.5399 0.1266 0.7248 1 0.0
O2 O-2 0.1596 0.3268 0.5199 1 0.0
Hg3 Hg+2 0.10841 0.40748 0.73876 1 0.0
Se2 Se+4 0.4489 0.24274 0.65429 1 0.0
O8 O-2 0.1942 0.8382 0.4627 1 0.0
Hg1 Hg+2 0.04122 0.71681 0.57105 1 0.0
Hg2 Hg+2 0.76506 0.29042 0.72353 1 0.0
Se4 Se+4 0.2453 0.99457 0.4731 1 0.0
O7 O-2 0.1272 0.5592 0.4194 1 0.0
