#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530082.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_1530082
loop_
_publ_author_name
'Herberhold, M.'
'Haumaier, L.'
'Schubert, U.'
_publ_section_title
;
 Preparation and molecular structure of Co (N O)2 (S3 N)
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              21
_journal_page_last               24
_journal_volume                  49
_journal_year                    1981
_chemical_formula_sum            'Co N3 O2 S3'
_chemical_name_systematic        'Co (N O)2 (S3 N)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.47
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.164
_cell_length_b                   15.32
_cell_length_c                   7.349
_cell_volume                     674.894
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Herberhold_ICHAA3_1981_618.cif
_cod_data_source_block           Co1N3O2S3
_cod_original_cell_volume        674.8942
_cod_original_formula_sum        'Co1 N3 O2 S3'
_cod_database_code               1530082
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
O2 O-2 -0.3161 -0.0202 0.2038 1 0.0
O1 O-2 0.2749 0.014 0.3689 1 0.0
S1 S-2 0.2857 0.2558 0.0806 1 0.0
N3 N+3 0.0764 0.3237 0.0366 1 0.0
N2 N+2 0.2336 0.0669 -0.1182 1 0.0
S2 S-2 -0.1731 0.29648 -0.0147 1 0.0
Co1 Co+3 0.1532 0.1185 0.05249 1 0.0
N1 N+2 0.2168 0.0632 0.2525 1 0.0
S3 S-2 -0.2042 0.16634 -0.0208 1 0.0
