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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/1/53/51/1535107.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_1535107
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            'Ce3 Cl S8 Si2'
_chemical_name_systematic        'Ce3 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                 97.07
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.594
_cell_length_b                   7.7019
_cell_length_c                   10.969
_cell_volume                     1307.398
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Hatscher_MRBUAC_2002_456.cif
_cod_data_source_block           Ce3Cl1S8Si2
_cod_original_formula_sum        'Ce3 Cl1 S8 Si2'
_cod_database_code               1535107
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
Ce1 Ce+3 0.191897 0.119206 0.684916 1 0.0
S2 S-2 0.2843 0.57334 0.08457 1 0.0
Si1 Si+4 0.15971 0.4683 0.02927 1 0.0
S4 S-2 0.14813 0.40944 -0.15947 1 0.0
S3 S-2 0.06481 0.65697 0.04996 1 0.0
Ce2 Ce+3 0.5 0.11892 0.75 1 0.0
Cl1 Cl-1 0 1.00058 0.25 1 0.0
S1 S-2 0.14593 0.25069 0.14058 1 0.0
