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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/1/53/46/1534636.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_1534636
loop_
_publ_author_name
'Goebbels, D.'
'Meyer, G.'
_publ_section_title
;
 Anhydrous mercurous chlorate, Hg2 (Cl O3)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2446
_journal_page_last               2447
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Cl2 Hg2 O6'
_chemical_name_systematic        'Hg2 (Cl O3)2'
_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                 97.506
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1659
_cell_length_b                   6.4102
_cell_length_c                   12.903
_cell_volume                     669.621
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Goebbels_ZAACAB_2003_952.cif
_cod_data_source_block           Cl2Hg2O6
_cod_original_cell_volume        669.6208
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1534636
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
Cl2 Cl+5 0.5154 0.4831 0.86833 1 0.0
O6 O-2 0.4197 0.6783 0.8733 1 0.0
O4 O-2 0.6065 0.5116 0.7712 1 0.0
O2 O-2 0.7118 0.2895 0.55 1 0.0
Hg1 Hg+1 0.4369 0.17467 0.64183 1 0.0
O1 O-2 0.7348 0.6632 0.568 1 0.0
O3 O-2 0.3535 0.4909 0.5999 1 0.0
Cl1 Cl+5 0.2328 0.5186 0.49592 1 0.0
Hg2 Hg+1 0.51795 0.80528 0.68835 1 0.0
O5 O-2 0.3998 0.3082 0.842 1 0.0
