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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/16/1541678.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_1541678
loop_
_publ_author_name
'Caminiti, R.'
'Marongiu, G.'
'Paschina, G.'
_publ_section_title
;
 Oxonium diaquadisulphatoindium(III) dihydrate (H3 O)+ (In(H2 O)2 (S
 O4)2)- * 2 H2 O
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              955
_journal_page_last               958
_journal_volume                  11
_journal_year                    1982
_chemical_formula_sum            'H11 In O13 S2'
_chemical_name_systematic        '(H3 O) In (S O4)2 (H2 O)4'
_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                 102.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.57
_cell_length_b                   10.77
_cell_length_c                   9.25
_cell_volume                     1027.650
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Caminiti_CSCMCS_1982_1385.cif
_cod_data_source_block           H11In1O13S2
_cod_original_cell_volume        1027.65
_cod_original_formula_sum        'H11 In1 O13 S2'
_cod_database_code               1541678
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O12 O-2 0.1838 -0.2399 0.5322 1 0.0
H1 H+1 0.099 0.375 0.045 1 0.0
H8 H+1 0.243 -0.271 0.474 1 0.0
H7 H+1 0.13 -0.305 0.59 1 0.0
H11 H+1 0.41 -0.282 0.32 1 0.0
O10 O-2 0.3187 -0.018 0.2076 1 0.0
H4 H+1 0.331 -0.024 0.305 1 0.0
O6 O-2 -0.0581 0.5949 0.2871 1 0.0
H5 H+1 0.409 -0.105 0.532 1 0.0
O3 O-2 0.4947 0.2115 0.3645 1 0.0
O1 O-2 0.2672 0.2565 0.2775 1 0.0
S2 S+6 0.0283 0.4852 0.2846 1 0.0
O11 O-2 0.3465 -0.0254 0.4946 1 0.0
H3 H+1 0.413 -0.011 0.206 1 0.0
S1 S+6 0.3952 0.3027 0.3612 1 0.0
O9 O-2 0.1077 0.2966 0.0011 1 0.0
H9 H+1 0.262 -0.179 0.578 1 0.0
H10 H+1 0.371 -0.402 0.378 1 0.0
O5 O-2 0.128 0.4903 0.4263 1 0.0
O7 O-2 0.0916 0.5016 0.161 1 0.0
O4 O-2 0.4268 0.4169 0.2939 1 0.0
H6 H+1 0.335 0.02 0.565 1 0.0
O13 O-2 0.3294 -0.3345 0.3321 1 0.0
In1 In+3 0.20908 0.13471 0.09608 1 0.0
H2 H+1 0.088 0.32 -0.09 1 0.0
O8 O-2 -0.045 0.3718 0.2746 1 0.0
O2 O-2 0.3781 0.3276 0.514 1 0.0
