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#$Date: 2018-02-05 11:38:38 +0100 (lun 05 de feb de 2018) $
#$Revision: 206183 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103648.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_8103648
loop_
_publ_author_name
'Chan, J.'
'Stanley, E.'
_publ_section_title
;
 The structure of nickel dithionate hexahydrate
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              404
_journal_page_last               410
_journal_volume                  132
_journal_year                    1970
_chemical_formula_sum            'H12 Ni O12 S2'
_chemical_name_systematic        'Ni S2 O6 (H2 O)6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                138.5
_cell_angle_beta                 116.4
_cell_angle_gamma                53.2
_cell_formula_units_Z            1
_cell_length_a                   6.749
_cell_length_b                   8.226
_cell_length_c                   9.561
_cell_volume                     281.625
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Chan_ZEKGAX_1970_1024.cif
_cod_data_source_block           H12Ni1O12S2
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-05
;
_cod_original_cell_volume        281.6245
_cod_original_formula_sum        'H12 Ni1 O12 S2'
_cod_database_code               8103648
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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_attached_hydrogens
_atom_site_U_iso_or_equiv
S1 S+5 -0.188 0.045 0.496 1 0 0.0
Ni1 Ni+2 0 0 0 1 0 0.0
O1 O-2 -0.316 0.063 0.336 1 0 0.0
O2 O-2 -0.14 -0.202 0.439 1 0 0.0
O3 O-2 -0.292 0.3 0.712 1 0 0.0
O4 O-2 -0.319 0.181 0.131 1 2 0.0
O5 O-2 0.187 0.664 0.969 1 2 0.0
O6 O-2 -0.167 -0.189 0.713 1 2 0.0
