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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310382.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310382
loop_
_publ_author_name
'Ferrari, A.'
'Braibanti, A.'
'Tiripicchio, A.'
_publ_section_title
;
 The crystal structure of tetrasodium tetramminecopper(II)
 di-catena-di-mue-thiosulphato-cuprate(I)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              605
_journal_page_last               610
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'Cu3 H12 N4 Na4 O12 S8'
_chemical_name_systematic        'Na4 (Cu (N H3)4) (Cu (S2 O3)2)2'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.814
_cell_length_b                   13.814
_cell_length_c                   5.759
_cell_volume                     1098.970
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ferrari_ACCRA9_1966_1105.cif
_cod_data_source_block           H12Cu3N4Na4O12S8
_cod_original_cell_volume        1098.97
_cod_original_formula_sum        'H12 Cu3 N4 Na4 O12 S8'
_cod_database_code               2310382
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0.1377 0.2349 0.2892 1 0.0
Na1 Na+1 0.2061 0.3319 0 1 0.0
Cu2 Cu+1 0 0.5 0.25 1 0.0
N1 N-3 0.1381 0.0421 0 1 0.0
S1 S-2 0.1074 0.418 0.5 1 0.0
O2 O-2 -0.0137 0.2456 0.5 1 0.0
S2 S+6 0.0891 0.271 0.5 1 0.0
