#------------------------------------------------------------------------------
#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527175.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_1527175
loop_
_publ_author_name
'Boyum, K.'
'Maroy, K.'
_publ_section_title
;
 The crystal structure of ammonium elenopentathionate hemitrihydrate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              2569
_journal_page_last               2579
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'H11 N2 O7.5 S4 Se'
_chemical_name_systematic        '(N H4)2 (Se (S2 O3)2) (H2 O)1.5'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.718
_cell_length_b                   9.326
_cell_length_c                   12.59
_cell_volume                     2432.590
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Boyum_ACSAA4_1971_1194.cif
_cod_data_source_block           H11N2O7.5S4Se1
_cod_original_cell_volume        2432.59
_cod_original_formula_sum        'H11 N2 O7.5 S4 Se1'
_cod_database_code               1527175
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,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
_atom_site_attached_hydrogens
O4 O-2 0.1993 -0.1655 0.2744 1 0.0 0
O6 O-2 0.2719 0.0173 0.3391 1 0.0 0
O3 O-2 0.0276 0.2288 -0.128 1 0.0 0
O1 O-2 0.0004 0.27 0.0556 1 0.0 0
O5 O-2 0.259 -0.0187 0.1487 1 0.0 0
O7 O-2 0.1242 0.3531 0.4977 1 0.0 2
S3 S-2 0.1563 0.1287 0.2553 1 0.0 0
N2 N-3 0.3944 0.1075 0.2244 1 0.0 4
N1 N-3 0.2556 0.2564 0.5021 1 0.0 4
S4 S+6 0.2292 -0.0302 0.2538 1 0.0 0
O8 O-2 0 0.4041 0.25 1 0.0 2
S2 S-2 0.0929 0.0437 0.0111 1 0.0 0
O2 O-2 0.1052 0.347 -0.0131 1 0.0 0
Se1 Se+2 0.077 0.0148 0.1788 1 0.0 0
S1 S+6 0.0518 0.2471 -0.0218 1 0.0 0
