#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/11/9011167.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_9011167
loop_
_publ_author_name
'Mercier, R.'
'Douglade, J.'
'Bernard, J.'
_publ_section_title
;
 Structure cristalline de Sb2O3*3SO3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2787
_journal_page_last               2791
_journal_paper_doi               10.1107/S0567740876008881
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     Sb2(SO4)3
_chemical_formula_sum            'O12 S3 Sb2'
_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                 126.30
_cell_angle_gamma                90
_cell_length_a                   13.12
_cell_length_b                   4.750
_cell_length_c                   17.55
_cell_formula_units_Z            4
_cell_volume                     881.457
_database_code_amcsd             0009575
_exptl_crystal_density_diffrn    4.007
_cod_original_formula_sum        'Sb2 S3 O12'
_cod_database_code               9011167
_amcsd_formula_title             Sb2(SO4)3
loop_
_space_group_symop_operation_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
_atom_site_U_iso_or_equiv
Sb1 0.35610 0.41130 0.28570 0.00747
Sb2 0.11070 0.20630 0.43790 0.00760
S1 0.55580 0.93590 0.39220 0.00785
S2 0.17220 0.66940 0.32340 0.00874
S3 0.16620 0.63520 0.61200 0.00849
O11 0.55620 0.05350 0.31580 0.00988
O12 0.52140 0.62570 0.36990 0.01077
O13 0.67530 0.95550 0.48000 0.01634
O14 0.47300 0.10280 0.40250 0.00823
O21 0.09070 0.55330 0.23170 0.01191
O22 0.30020 0.55800 0.36810 0.01001
O23 0.14020 0.57310 0.38400 0.01077
O24 0.17300 0.98370 0.32830 0.00798
O31 0.04620 0.51570 0.59600 0.01267
O32 0.13810 0.93680 0.57400 0.01216
O33 0.20000 0.43430 0.55940 0.01039
O34 0.27130 0.64500 0.70900 0.01013
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009575
