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#$Date: 2022-09-28 15:56:03 +0200 (Wed 28 de Sep de 2022) $
#$Revision: 278244 $
#$URL: svn://www.crystallography.net/cod/cif/6/00/03/6000386.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_6000386
loop_
_publ_author_name
'Burger, K.'
'Cox, D.'
'Papoular, R.'
'Prandl, W.'
_publ_section_title
;
 The application of resonant scattering techniques to ab initio structure
 solution from powder data using SrSO4 as a test case
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              789
_journal_page_last               797
_journal_paper_doi               10.1107/S0021889898006293
_journal_volume                  31
_journal_year                    1998
_chemical_formula_structural     'Sr S O4'
_chemical_formula_sum            'O4 S Sr'
_chemical_name_mineral           Celestine
_chemical_name_systematic        'Strontium Sulfate'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.35929(3)
_cell_length_b                   5.35083(2)
_cell_length_c                   6.86939(3)
_cell_volume                     307.24
_cod_database_code               6000386
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z+1/2
4 -x,y+1/2,-z
5 -x,-y,-z
6 x+1/2,y,-z+1/2
7 -x+1/2,y+1/2,z+1/2
8 x,-y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_biso_or_equiv
Sr 0.1840(1) 0.25 0.1580(2) 1.00(2)
S 0.4374(2) 0.75 0.1855(2) 0.54(4)
O1 0.5975(4) 0.75 0.0950(5) 0.61(2)
O2 0.3070(5) 0.75 0.0403(5) 0.61(2)
O3 0.4215(3) 0.9739(4) 0.3111(4) 0.61(2)
