#------------------------------------------------------------------------------
#$Date: 2015-07-13 05:48:12 +0200 (Mon, 13 Jul 2015) $
#$Revision: 149840 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/79/1527997.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_1527997
loop_
_publ_author_name
'Rodek, E.'
'Amin, N.'
'Roesky, H.W.'
_publ_section_title
;
 Reaktionen und Roentgenkristallstrukturanalyse von S3 N2 O5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              123
_journal_page_last               126
_journal_volume                  457
_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                   8.227
_cell_length_b                   9.958
_cell_length_c                   7.841
_cell_volume                     593.900
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rodek_ZAACAB_1979_948.cif
_cod_data_source_block           N2O5S3
_cod_original_cell_volume        593.9004
_cod_database_code               1527997
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
O3 O-2 0.6205 0.3749 0.5003 1 0.0
S2 S+6 0.7087 0.4568 0.9288 1 0.0
O4 O-2 0.5349 0.4144 0.8398 1 0.0
O2 O-2 0.9395 0.3744 0.5829 1 0.0
N1 N-3 0.7876 0.5878 0.5948 1 0.0
S3 S+4 0.7506 0.6815 0.7321 1 0.0
O1 O-2 0.8293 0.3968 0.8237 1 0.0
S1 S+6 0.789 0.4234 0.6056 1 0.0
O5 O-2 0.8059 0.4275 1.1143 1 0.0
N2 N-3 0.7198 0.6193 0.8966 1 0.0
