#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/69/1526940.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_1526940
loop_
_publ_author_name
'Wickleder, C.'
'Larsen, P.'
_publ_section_title
;
 Ba Cl S C N und Na4 Mg (S C N)6: zwei neue wasserfreie Thiocyanate der
 Erdalkalimetalle
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1279
_journal_page_last               1282
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C Ba Cl N S'
_chemical_name_systematic        'Ba Cl (S C N)'
_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                 100.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.886
_cell_length_b                   4.658
_cell_length_c                   8.644
_cell_volume                     233.247
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wickleder_ZAACAB_2001_1996.cif
_cod_data_source_block           C1Ba1Cl1N1S1
_cod_original_cell_volume        233.2469
_cod_original_formula_sum        'C1 Ba1 Cl1 N1 S1'
_cod_database_code               1526940
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 0.4211 0.25 0.1897 1 0.0
S1 S-2 0.1393 0.75 0.8965 1 0.0
Ba1 Ba+2 0.79506 0.25 0.70016 1 0.0
Cl1 Cl-1 0.2539 0.25 0.5506 1 0.0
C1 C+4 0.3962 0.75 0.8462 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139045989
