#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/05/1010598.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_1010598
loop_
_publ_author_name
'Hendricks, S B'
'Merwin, H E'
_publ_section_title
;
The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates
;
_journal_coden_ASTM              AJSC5L
_journal_name_full
;
American Journal of Science, Serie 5(1,1921-1938)
;
_journal_page_first              487
_journal_page_last               494
_journal_volume                  15
_journal_year                    1928
_chemical_formula_structural     '(N H4)2 Pt (S C N)6'
_chemical_formula_sum            'H8 N8 Pt S6'
_chemical_name_systematic        'Ammonium hexakis(thiocyanato)platinate'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.77
_cell_length_b                   6.77
_cell_length_c                   10.45
_cell_volume                     414.8
_cod_database_code               1010598
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,-z
-x,y-x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pt1 Pt4+ 1 a 0. 0. 0. 1. 0 d
N1 N3- 2 d 0.3333 0.6667 0.5 1. 0 d
S1 S2- 6 i 0.13 -0.13 0.11 1. 0 d
C1 C4+ 6 i -1. -1. -1. 1. 0 dum
N2 N3- 6 i -1. -1. -1. 1. 0 dum
H1 H1+ 2 d -1. -1. -1. 4. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pt4+ 4.000
N3- -3.000
S2- -2.000
C4+ 4.000
H1+ 1.000