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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012530.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9012530
loop_
_publ_author_name
'Aurivillius, K.'
_publ_section_title
;Least-squares refinement of the crystal structures of orthorhombic HgO and of
 Hg2O2NaI Locality: synthetic
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1305
_journal_page_last               1306
_journal_paper_doi               10.3891/acta.chem.scand.18-1305
_journal_volume                  18
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Hg O'
_chemical_name_mineral           Montroydite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.6129
_cell_length_b                   5.5208
_cell_length_c                   3.5219
_cell_formula_units_Z            4
_cell_volume                     128.579
_database_code_amcsd             0011897
_exptl_crystal_density_diffrn    11.189
_cod_database_code               9012530
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg 0.11360 0.25000 0.24560 0.01520
O 0.35920 0.25000 0.59550 0.01862
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 8013035
2 AMCSD 0011897
