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#$Date: 2024-06-05 17:01:20 +0300 (Wed, 05 Jun 2024) $
#$Revision: 292204 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/70/1527094.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_1527094
loop_
_publ_author_name
'Aurivillius, K.'
_publ_section_title
;
 Studies on mercury(II)oxide chlorides and mercury(II) oxide
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              523
_journal_page_last               523
_journal_volume                  8
_journal_year                    1954
_chemical_formula_sum            'Hg'
_chemical_name_systematic        'Hg3 O2 Cl2'
_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                 114.4
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   6.316
_cell_length_b                   6.865
_cell_length_c                   6.858
_cell_volume                     270.799
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Aurivillius_ACSAA4_1954_1730.cif
_cod_data_source_block           Hg3
_cod_depositor_comments
;

2024-06-03
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            Hg3
_cod_original_formula_units_Z            2
_cod_original_cell_volume        270.7994
_cod_database_code               1527094
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
Hg1 Hg+2 0 0 0 1 0.0
Hg2 Hg+2 0.425 0.36 0.265 1 0.0
