#------------------------------------------------------------------------------
#$Date: 2015-07-11 15:42:03 +0300 (Sat, 11 Jul 2015) $
#$Revision: 144686 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/35/8103531.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_8103531
loop_
_publ_author_name
'Bartl, H.'
'Rodek, E.'
_publ_section_title
;
 Untersuchung der Kristall- und Molekuelstruktur von S3 N2 O5
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              101
_journal_page_last               102
_journal_volume                  149
_journal_year                    1979
_chemical_formula_sum            'N2 O5 S3'
_chemical_name_systematic        'S3 N2 O5'
_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                 112.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.827
_cell_length_b                   9.958
_cell_length_c                   7.841
_cell_volume                     637.214
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bartl_ZEKRDZ_1979_291.cif
_cod_data_source_block           N2O5S3
_cod_original_cell_volume        637.2139
_cod_database_code               8103531
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
N1 N-1 0.7876 0.5878 0.5948 1 0.0
O1 O-2 0.8293 0.3968 0.8237 1 0.0
O3 O-2 0.6205 0.3749 0.5003 1 0.0
N2 N-1 0.7198 0.6193 0.8966 1 0.0
O4 O-2 0.5349 0.4144 0.8398 1 0.0
O5 O-2 0.8059 0.4275 0.1143 1 0.0
S3 S 0.7506 0.6815 0.7321 1 0.0
O2 O-2 0.9395 0.3744 0.5829 1 0.0
S2 S+6 0.7087 0.4568 0.9228 1 0.0
S1 S+6 0.789 0.4234 0.6065 1 0.0
