#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/63/9016318.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_9016318
loop_
_publ_author_name
'Tudo, J.'
'Jolibois, B.'
'Laplace, G.'
'Nowogrocki, G.'
_publ_section_title
;
 Structure cristalline du sulfate acide d'indium(III) hydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1580
_journal_page_last               1583
_journal_paper_doi               10.1107/S0567740879007172
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'In O12 S2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.997
_cell_length_b                   5.477
_cell_length_c                   18.443
_cell_formula_units_Z            4
_cell_volume                     1009.820
_database_code_amcsd             0009685
_exptl_crystal_density_diffrn    2.440
_cod_duplicate_entry             1004045
_cod_original_formula_sum        'In S2 O12'
_cod_database_code               9016318
_amcsd_formula_title             'H9 In O12 S2'
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
In1 0.00000 0.00000 0.00000
S1 0.24034 0.28039 0.09149
O1 -0.01137 0.74873 0.09093
O2 0.24533 0.49915 0.13547
O3 0.28457 0.06446 0.12996
O4 0.32268 0.30916 0.02476
O5 0.09998 0.25349 0.06732
O6 0.39459 0.56932 0.25000
O7 0.63566 0.57653 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009685
