#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/11/1541145.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_1541145
loop_
_publ_author_name
'Puselj, M.'
'Ban, Z.'
'Lukacevic, E.'
'Morvaj, J.'
_publ_section_title
;
 On the preparation of mercuric peroxides and refinement of the alpha-Hg
 O2 structure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              191
_journal_page_last               194
_journal_volume                  528
_journal_year                    1985
_chemical_formula_sum            'Hg O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.45
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.4702
_cell_length_b                   5.4592
_cell_length_c                   3.5192
_cell_volume                     81.467
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Puselj_ZAACAB_1985_602.cif
_cod_data_source_block           Hg1O2
_cod_original_cell_volume        81.46726
_cod_original_formula_sum        'Hg1 O2'
_cod_database_code               1541145
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
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
O1 O-1 0.476 0 0.28 1 0.0
