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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/4/00/25/4002574.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_4002574
loop_
_publ_author_name
'Gauthier, G.'
'Jobic, S.'
'Evain, M.'
'Fouassier, C.'
'Koo, H.-J.'
'Whangbo Myunghwan'
'Brec, R.'
_publ_section_title
;
 Syntheses, structures and optical properties of yellow Ce2 Si S5, Ce6 Si4
 S17 and Ce4 Si3 S12 materials
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              828
_journal_page_last               837
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Ce2 S5 Si'
_chemical_name_systematic        'Ce2 (Si S5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.55
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5475
_cell_length_b                   12.5581
_cell_length_c                   7.8286
_cell_volume                     726.987
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Gauthier_CMATEX_2003_56.cif
_cod_data_source_block           Ce2S5Si1
_cod_original_cell_volume        726.9869
_cod_original_formula_sum        'Ce2 S5 Si1'
_cod_database_code               4002574
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
S5 S-2 0.522 0.2281 0.549 1 0.0
S4 S-2 0.125 0.2053 0.691 1 0.0
S2 S-2 0.865 0.378 0.501 1 0.0
Ce1 Ce+3 0.2387 0.405 0.5463 1 0.0
S1 S-2 0.168 0.031 0.384 1 0.0
S3 S-2 0.415 0.003 0.775 1 0.0
Ce2 Ce+3 0.8356 0.166 0.3659 1 0.0
Si1 Si+4 0.322 0.114 0.596 1 0.0
