#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/44/9014413.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_9014413
loop_
_publ_author_name
'Hylleraas, E.'
_publ_section_title
;
 Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen
 Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der
 optischen Doppelbrechung von Hg2 Cl2.
 _cod_database_code 1010948
;
_journal_name_full               'Zeitschrift fur Physik'
_journal_page_first              859
_journal_page_last               896
_journal_paper_doi               10.1007/BF01400219
_journal_volume                  36
_journal_year                    1926
_chemical_formula_sum            'Cl2 Hg2'
_chemical_name_mineral           Calomel
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.464
_cell_length_b                   4.464
_cell_length_c                   10.9
_cell_formula_units_Z            2
_cell_volume                     217.208
_database_code_amcsd             0017669
_exptl_crystal_density_diffrn    7.218
_cod_depositor_comments
;

2024-05-20
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_duplicate_entry             1010948
_cod_original_formula_sum        'Hg Cl'
_cod_database_code               9014413
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg1 0.00000 0.00000 0.11700
Cl1 0.00000 0.00000 0.34700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017669
