#------------------------------------------------------------------------------
#$Date: 2016-09-16 14:55:27 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/92/1539293.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_1539293
loop_
_publ_author_name
'Tanito, Yoshimichi'
'Saito, Yoshihiko'
'Kuroya, Hisao'
_publ_section_title
;
 The Crystal Structure of Trinitrotriammine-cobalt (III),
 [Co(NH₃)₃(NO₂)₃]
;
_journal_issue                   3
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              188
_journal_page_last               191
_journal_paper_doi               10.1246/bcsj.25.188
_journal_volume                  25
_journal_year                    1952
_chemical_formula_sum            'Co H9 N6 O6'
_chemical_name_systematic        'Co (N H3)3 (N O2)3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2
_cell_length_b                   11.77
_cell_length_c                   6.99
_cell_volume                     839.177
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Tanito_BCSJA8_1952_985.cif
_cod_data_source_block           H9Co1N6O6
_cod_original_cell_volume        839.1774
_cod_original_formula_sum        'H9 Co1 N6 O6'
_cod_database_code               1539293
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,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
_atom_site_attached_hydrogens
Co1 Co+3 0.0686 0.25 0.25 1 0.0 0
O3 O-2 0.135 0.393 0.472 1 0.0 0
O5 O-2 0.24 0.153 0.072 1 0.0 0
N4 N-3 0.255 0.288 0.273 1 0.0 3
N1 N+3 -0.116 0.21 0.227 1 0.0 0
N3 N+3 0.118 0.14 0.05 1 0.0 0
N5 N-3 0.049 0.366 0.046 1 0.0 3
O2 O-2 -0.199 0.275 0.3 1 0.0 0
N2 N+3 0.02 0.36 0.45 1 0.0 0
O4 O-2 -0.068 0.401 0.558 1 0.0 0
N6 N-3 0.088 0.134 0.455 1 0.0 3
O1 O-2 -0.139 0.119 0.143 1 0.0 0
O6 O-2 0.076 0.054 -0.036 1 0.0 0
