#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535131.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_1535131
loop_
_publ_author_name
'Hatscher, S.T.'
'Urland, W.'
_publ_section_title
;
 Synthese und Kristallstrukturen von Bromid-Thiosilicaten Ln3 Br (Si S4)2
 der Lanthanide (Ln = La, Ce, Pr, Nd, Sm, Gd)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              608
_journal_page_last               611
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Br La3 S8 Si2'
_chemical_name_systematic        'La3 Br (Si S4)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.833
_cell_length_b                   7.8301
_cell_length_c                   10.982
_cell_volume                     1350.356
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hatscher_ZAACAB_2002_310.cif
_cod_data_source_block           Br1La3S8Si2
_cod_original_formula_sum        'Br1 La3 S8 Si2'
_cod_database_code               1535131
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Br1 Br-1 0 0.99197 0.25 1 0.0
S4 S-2 0.14916 0.40425 -0.15807 1 0.0
La1 La+3 0.19283 0.11843 0.68289 1 0.0
S3 S-2 0.06594 0.65423 0.04681 1 0.0
S1 S-2 0.14605 0.25413 0.14343 1 0.0
La2 La+3 0.5 0.10766 0.75 1 0.0
S2 S-2 0.28261 0.57209 0.08455 1 0.0
Si1 Si+4 0.15976 0.46574 0.02952 1 0.0
