#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010641.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_1010641
loop_
_publ_author_name
'Stoll, P'
_publ_section_title              'Raumgitter von Komplexsalzen'
_journal_coden_ASTM              ETZUDR
_journal_name_full               'Diss. ETH Zuerich'
_journal_page_first              1
_journal_page_last               46
_journal_volume                  1
_journal_year                    1926
_chemical_formula_structural     'Co (N H3)6 I3'
_chemical_formula_sum            'Co H18 I3 N6'
_chemical_name_systematic        'Hexaamminecobalt(III) iodide'
_space_group_IT_number           224
_symmetry_cell_setting           cubic
_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_formula_units_Z            4
_cell_length_a                   10.92
_cell_length_b                   10.92
_cell_length_c                   10.92
_cell_volume                     1302.2
_cod_original_sg_symbol_H-M      'P n -3 m Z'
_cod_original_formula_sum        'H18 Co I3 N6'
_cod_database_code               1010641
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2-y,z
x,z,y
x,1/2-z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2-z,y
y,z,x
1/2-y,1/2-z,x
y,1/2-z,1/2-x
1/2-y,z,1/2-x
z,y,x
1/2-z,1/2-y,x
z,1/2-y,1/2-x
1/2-z,y,1/2-x
z,x,y
1/2-z,x,1/2-y
1/2-z,1/2-x,y
z,1/2-x,1/2-y
y,x,z
1/2-y,x,1/2-z
1/2-y,1/2-x,z
y,1/2-x,1/2-z
-x,-y,-z
-x,1/2+y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2+y,-z
-x,-z,-y
-x,1/2+z,1/2+y
1/2+x,-z,1/2+y
1/2+x,1/2+z,-y
-y,-z,-x
1/2+y,1/2+z,-x
-y,1/2+z,1/2+x
1/2+y,-z,1/2+x
-z,-y,-x
1/2+z,1/2+y,-x
-z,1/2+y,1/2+x
1/2+z,-y,1/2+x
-z,-x,-y
1/2+z,-x,1/2+y
1/2+z,1/2+x,-y
-z,1/2+x,1/2+y
-y,-x,-z
1/2+y,-x,1/2+z
1/2+y,1/2+x,-z
-y,1/2+x,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Co1 Co3+ 4 b 0. 0. 0. 1. 0 d
I1 I1- 12 g 0.625 0.25 0.25 1. 0 d
N1 N3- 24 k 0.375 0.375 0.25 1. 3 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co3+ 3.000
I1- -1.000
N3- -3.000
H1+ 1.000
