#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/06/2310656.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310656
loop_
_publ_author_name
'Roth, W.L.'
_publ_section_title
;
 The Structure of Mercuric Oxide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              277
_journal_page_last               280
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'Hg O'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.311
_cell_length_b                   5.526
_cell_length_c                   3.526
_cell_volume                     64.514
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Roth_ACCRA9_1956_190.cif
_cod_data_source_block           Hg1O1
_cod_original_cell_volume        64.51376
_cod_original_formula_sum        'Hg1 O1'
_cod_database_code               2310656
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
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
O1 O-2 0 0.5 0.17 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
