#------------------------------------------------------------------------------
#$Date: 2016-09-16 13:55:27 +0200 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/99/1539940.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_1539940
loop_
_publ_author_name
'Weiss, J.'
_publ_section_title
;
 Zur Struktur von Pb N2 S2 (N H3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              315
_journal_page_last               322
_journal_volume                  343
_journal_year                    1966
_chemical_formula_sum            'H3 N3 Pb S2'
_chemical_name_systematic        'Pb N2 S2 (N H3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.65
_cell_length_b                   16.21
_cell_length_c                   6.13
_cell_volume                     559.845
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weiss_ZAACAB_1966_776.cif
_cod_data_source_block           H3N3Pb1S2
_cod_original_cell_volume        559.8449
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H3 N3 Pb1 S2'
_cod_database_code               1539940
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,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_U_iso_or_equiv
_atom_site_attached_hydrogens
N2 N-2 -0.0339 0.1605 0.6242 1 0.0 0
N3 N-3 0.4854 0.1659 0.8696 1 0.0 3
N1 N-2 0.1435 0.1363 0.2448 1 0.0 0
S1 S 0.3072 0.0547 0.3504 1 0.0 0
S2 S+2 -0.0407 0.182 0.3717 1 0.0 0
Pb1 Pb+2 0.1978 0.0571 0.7771 1 0.0 0
