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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/09/9010982.cif $
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#
# 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_9010982
loop_
_publ_author_name
'Westrik, R.'
'MacGillavry, C. H.'
_publ_section_title
;
 The crystal structure of the asbestos-like form of sulphur trioxide
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              764
_journal_page_last               767
_journal_volume                  7
_journal_year                    1954
_chemical_formula_structural     SO3
_chemical_formula_sum            'O3 S'
_chemical_name_mineral           SO3
_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                 109.83
_cell_angle_gamma                90
_cell_length_a                   6.20
_cell_length_b                   4.06
_cell_length_c                   9.31
_cell_volume                     220.455
_exptl_crystal_density_diffrn    2.412
_[local]_cod_chemical_formula_sum_orig 'S O3'
_cod_database_code               9010982
_amcsd_database_code             AMCSD#0009097
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S 0.17100 0.02500 0.29400
O1 0.00100 0.27500 0.16900
O2 0.27000 0.20000 0.43100
O3 0.28100 -0.15000 0.20700