#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/09/9010972.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010972
loop_
_publ_author_name
'Post, B.'
'Schwartz, R. S.'
'Fankuchen, I.'
_publ_section_title
;
 The crystal structure of sulfur dioxide
 Sample: T = -130 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              372
_journal_page_last               374
_journal_paper_doi               10.1107/S0365110X5200109X
_journal_volume                  5
_journal_year                    1952
_chemical_formula_structural     SO2
_chemical_formula_sum            'O2 S'
_space_group_IT_number           41
_space_group_name_Hall           'A 2 -2ab'
_space_group_name_H-M_alt        'A e a 2'
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.07
_cell_length_b                   5.94
_cell_length_c                   6.14
_cell_formula_units_Z            4
_cell_volume                     221.383
_diffrn_ambient_temperature      143.15
_exptl_crystal_density_diffrn    1.922
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_original_formula_sum        'S O2'
_cod_database_code               9010972
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,1/2-y,z
1/2+x,-y,1/2+z
1/2-x,1/2+y,z
1/2-x,+y,1/2+z
-x,-y,z
-x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S 0.00000 0.00000 0.00000 0.03166
O 0.14000 0.15000 0.11800 0.03166
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 1087
_database_code_amcsd 0009146
