#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/10/9011059.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_9011059
loop_
_publ_author_name
'Pascard, R.'
'Pascard-Billy C'
_publ_section_title
;
 Structure precise de l'anhydride sulfurique
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              830
_journal_page_last               834
_journal_paper_doi               10.1107/S0365110X65002049
_journal_volume                  18
_journal_year                    1965
_chemical_formula_structural     SO3
_chemical_formula_sum            'O3 S'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.13
_cell_length_b                   10.82
_cell_length_c                   12.40
_cell_formula_units_Z            12
_cell_volume                     688.282
_database_code_amcsd             0009294
_exptl_crystal_density_diffrn    2.318
_cod_original_formula_sum        'S O3'
_cod_database_code               9011059
_amcsd_formula_title             SO3
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2-z
1/2+x,1/2-y,1/2+z
1/2+x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S1 0.20600 0.13150 0.08210 0.02799
S2 0.04500 0.30410 -0.07420 0.02444
S3 0.00000 0.35980 0.14900 0.02698
O1 0.12000 0.01160 0.10410 0.04116
O2 0.45160 0.17060 0.08380 0.04116
O3 0.06100 0.16460 -0.03090 0.02698
O4 -0.12390 0.29450 -0.15480 0.04876
O5 0.27740 0.36090 -0.08290 0.04243
O6 -0.11260 0.35790 0.02750 0.02748
O7 0.23120 0.41440 0.15000 0.03800
O8 -0.21540 0.38740 0.21370 0.03040
O9 0.03800 0.20840 0.15960 0.02875
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30654012
2 AMCSD 0009294
