#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/65/9016505.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_9016505
loop_
_publ_author_name
'Stoll, P.'
_publ_section_title
;
 Raumgitter von Komplexsalzen
 _cod_database_code 1010641
;
_journal_name_full               'Dissertation ETH Zurich'
_journal_page_first              1
_journal_page_last               46
_journal_volume                  1
_journal_year                    1926
_chemical_formula_sum            'Co I3 N6'
_space_group_IT_number           224
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.92
_cell_length_b                   10.92
_cell_length_c                   10.92
_cell_formula_units_Z            4
_cell_volume                     1302.171
_database_code_amcsd             0017523
_exptl_crystal_density_diffrn    2.671
_cod_duplicate_entry             1010641
_cod_original_sg_symbol_H-M      'P n 3 m'
_cod_database_code               9016505
_amcsd_formula_title             'Co H18 I3 N6'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,-x,1/2+y
1/2-y,z,1/2-x
1/2+x,-y,1/2+z
1/2-z,x,1/2-y
1/2+y,-z,1/2+x
1/2-x,y,1/2-z
x,1/2-z,1/2-y
-z,1/2+y,1/2+x
y,1/2-x,1/2-z
-x,1/2+z,1/2+y
z,1/2-y,1/2-x
-y,1/2+x,1/2+z
x,z,y
-z,-y,-x
y,x,z
-x,-z,-y
z,y,x
-y,-x,-z
1/2+z,1/2+x,-y
1/2-y,1/2-z,x
1/2+x,1/2+y,-z
1/2-z,1/2-x,y
1/2+y,1/2+z,-x
1/2-x,1/2-y,z
-z,1/2+x,1/2+y
y,1/2-z,1/2-x
-x,1/2+y,1/2+z
z,1/2-x,1/2-y
-y,1/2+z,1/2+x
x,1/2-y,1/2-z
1/2-x,z,1/2-y
1/2+z,-y,1/2+x
1/2-y,x,1/2-z
1/2+x,-z,1/2+y
1/2-z,y,1/2-x
1/2+y,-x,1/2+z
1/2-x,1/2-z,y
1/2+z,1/2+y,-x
1/2-y,1/2-x,z
1/2+x,1/2+z,-y
1/2-z,1/2-y,x
1/2+y,1/2+x,-z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Co1 0.00000 0.00000 0.00000 0
I1 0.62500 0.25000 0.25000 0
N1 0.37500 0.37500 0.25000 3
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017523
