#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/53/1525383.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_1525383
loop_
_publ_author_name
'Thiele, G.'
'Messer, D.'
_publ_section_title
;
 Kristallstrukturen der Trithiocyanomercurate Rb Hg(S C N)3 und Cs Hg (S C
 N)3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              24
_journal_page_last               36
_journal_volume                  421
_journal_year                    1976
_chemical_formula_sum            'C3 Hg N3 Rb S3'
_chemical_name_systematic        'Rb (Hg (S C N)3)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.4067
_cell_length_b                   4.167
_cell_length_c                   11.1026
_cell_volume                     477.500
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Thiele_ZAACAB_1976_555.cif
_cod_data_source_block           C3Hg1N3Rb1S3
_cod_original_cell_volume        477.5005
_cod_original_formula_sum        'C3 Hg1 N3 Rb1 S3'
_cod_database_code               1525383
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
N1 N-3 0.3867 0.25 0.5516 1 0.0
S2 S-2 0.67756 0.25 0.19894 1 0.0
C1 C+4 0.2749 0.25 0.5273 1 0.0
N2 N-3 0.6133 0.25 0.9257 1 0.0
N3 N-3 0.8004 0.25 0.7451 1 0.0
C3 C+4 0.9102 0.25 0.7985 1 0.0
S1 S-2 0.12047 0.25 0.49205 1 0.0
Rb1 Rb+1 0.40441 0.25 0.27922 1 0.0
S3 S-2 0.06713 0.25 0.89165 1 0.0
C2 C+4 0.6383 0.25 0.0323 1 0.0
Hg1 Hg+2 0.14511 0.25 0.72212 1 0.0
