#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223672.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_7223672
loop_
_publ_author_name
'Schnick, W.'
_publ_section_title
;
 Synthese, Struktur und thermisches Verhalten von
 Thiophosphorsaeuretriamid SP(NH2)3
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              942
_journal_page_last               945
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'H6 N3 P S'
_chemical_name_systematic        'S P (N H2)3'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.223
_cell_length_b                   9.538
_cell_length_c                   10.584
_cell_volume                     931.064
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Schnick_ZNBSEN_1989_1972.cif
_cod_data_source_block           H6N3P1S1
_cod_original_cell_volume        931.0635
_cod_original_formula_sum        'H6 N3 P1 S1'
_cod_database_code               7223672
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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
S1 S 0.157 0.4483 0.0665 1 0.0
H6 H+1 0.2224 0.357 0.3335 1 0.0
N2 N-3 0.4682 0.3148 0.0916 1 0.0
H3 H+1 0.5012 0.3625 0.0125 1 0.0
H4 H+1 0.431 0.2191 0.0707 1 0.0
H1 H+1 0.5084 0.5422 0.2391 1 0.0
P1 P+3 0.337 0.4095 0.1574 1 0.0
H5 H+1 0.3908 0.3042 0.3366 1 0.0
N1 N-3 0.4234 0.5594 0.1825 1 0.0
H2 H+1 0.3564 0.6282 0.2233 1 0.0
N3 N-3 0.3017 0.3121 0.2833 1 0.0
