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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/4/34/37/4343737.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_4343737
loop_
_publ_author_name
'Binnie, W.P.'
'Redman, M.J.'
'Mallio, W.J.'
_publ_section_title
;
 On the preparation, properties, and structure of cuprous ammonium
 thiomolybdate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1449
_journal_page_last               1452
_journal_volume                  9
_journal_year                    1970
_chemical_formula_sum            'Cu H4 Mo N S4'
_chemical_name_systematic        'Cu N H4 Mo S4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8
_cell_length_b                   8
_cell_length_c                   5.409
_cell_volume                     346.176
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Binnie_INOCAJ_1970_1818.cif
_cod_data_source_block           H4Cu1Mo1N1S4
_cod_original_formula_sum        'H4 Cu1 Mo1 N1 S4'
_cod_database_code               4343737
loop_
_symmetry_equiv_pos_as_xyz
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
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
Mo1 Mo+6 0 0 0 1 0.0
S1 S-2 0.195 0.112 0.232 1 0.0
Cu1 Cu+1 0 0 0.5 1 0.0
N1 N-3 0 0.5 0.25 1 0.0
