#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/56/1535615.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_1535615
loop_
_publ_author_name
'Hostettler, M.'
'Birkedal, H.'
'Schwarzenbach, D.'
_publ_section_title
;
 The yellow polymorphs of mercuric iodide Hg I2
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              1410
_journal_page_last               1422
_journal_volume                  86
_journal_year                    2003
_chemical_formula_sum            'Hg I2'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7336
_cell_length_b                   7.4083
_cell_length_c                   13.943
_cell_volume                     488.952
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Hostettler_HCACAV_2003_964.cif
_cod_data_source_block           Hg1I2
_cod_original_cell_volume        488.9521
_cod_original_formula_sum        'Hg1 I2'
_cod_database_code               1535615
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
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
Hg1 Hg+2 0 0.6586 -0.0039 1 0.0
I1 I-1 0 0.9106 0.8632 1 0.0
I2 I-1 0 0.4069 0.1289 1 0.0
