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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/67/2106759.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_2106759
loop_
_publ_author_name
'Hostettler, M.'
'Birkedal, H.'
'Schwarzenbach, D.'
_publ_section_title
;
 The structure of orange Hg I2. I. Polytypic layer structure
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              903
_journal_page_last               913
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Hg I2'
_space_group_IT_number           115
_symmetry_space_group_name_Hall  'P -4 -2'
_symmetry_space_group_name_H-M   'P -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7863
_cell_length_b                   8.7863
_cell_length_c                   6.1667
_cell_volume                     476.063
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Hostettler_ASBSDK_2002_621.cif
_cod_data_source_block           Hg1I2
_cod_original_cell_volume        476.0634
_cod_original_formula_sum        'Hg1 I2'
_cod_database_code               2106759
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
-x,y,z
y,x,-z
x,-y,z
-y,-x,-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 0.24918 0 0.74945 1 0.0
I1 I-1 0 0.5 0.5315 1 0.0
I3 I-1 0 0 0.5288 1 0.0
I2 I-1 0.26398 0.26398 0 1 0.0
