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#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/48/1524809.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_1524809
loop_
_publ_author_name
'Leskelae, M.'
'Valkonen, J.'
'Hoppe, R.'
_publ_section_title
;
 The crystal structure, thermal behaviour and IR spectrum of copper
 tetraammine dithionate
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              805
_journal_page_last               809
_journal_volume                  32
_journal_year                    1978
_chemical_formula_sum            'Cu H12 N4 O6 S2'
_chemical_name_systematic        '(Cu (N H3)4) (S2 O6)'
_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                 145.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.148
_cell_length_b                   10.604
_cell_length_c                   11.675
_cell_volume                     506.058
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Leskelae_ACAPCT_1978_420.cif
_cod_data_source_block           H12Cu1N4O6S2
_cod_original_cell_volume        506.0583
_cod_original_formula_sum        'H12 Cu1 N4 O6 S2'
_cod_database_code               1524809
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
_atom_site_attached_hydrogens
N2 N-3 0.083 0.6493 0.4339 1 0.0 3
O1 O-2 0.4161 0.5986 0.2331 1 0.0 0
O3 O-2 0.0899 0.1151 0.4107 1 0.0 0
Cu1 Cu+2 0 0 0 1 0.0 0
O2 O-2 0.7798 0.9161 0.2547 1 0.0 0
N1 N-3 0.8427 0.3912 0.2877 1 0.0 3
S1 S+5 0.8638 0.0322 0.3591 1 0.0 0
