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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/51/1535104.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_1535104
loop_
_publ_author_name
'Hatscher, S.T.'
'Urland, W.'
_publ_section_title
;
 Synthesis and structures of chloride thiosilicates with lanthanides Ln3
 Cl (Si S4)2 (Ln = La, Ce, Pr)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1239
_journal_page_last               1247
_journal_volume                  37
_journal_year                    2002
_chemical_formula_sum            'Cl La3 S8 Si2'
_chemical_name_systematic        'La3 Cl (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                 96.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.672
_cell_length_b                   7.7784
_cell_length_c                   11.015
_cell_volume                     1333.094
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Hatscher_MRBUAC_2002_455.cif
_cod_data_source_block           Cl1La3S8Si2
_cod_original_formula_sum        'Cl1 La3 S8 Si2'
_cod_database_code               1535104
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
La2 La+3 0.5 0.11706 0.75 1 0.0
Cl1 Cl-1 0 1.00119 0.25 1 0.0
La1 La+3 0.190883 0.1182 0.685008 1 0.0
S1 S-2 0.1469 0.25288 0.14077 1 0.0
S4 S-2 0.14862 0.40921 -0.15824 1 0.0
Si1 Si+4 0.16004 0.46837 0.02963 1 0.0
S2 S-2 0.28353 0.57408 0.0841 1 0.0
S3 S-2 0.06503 0.65464 0.05001 1 0.0
