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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/13/1531333.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_1531333
loop_
_publ_author_name
'Hartenbach, I.'
'Schleid, T.'
_publ_section_title
;
 Thiosilicate der Selten-Erd-Elemente: I. Die isotypen Verbindungen K Ce
 (Si S4) und Eu2 (Si S4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1327
_journal_page_last               1331
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ce K S4 Si'
_chemical_name_systematic        'K Ce (Si S4)'
_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                 107.531
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4915
_cell_length_b                   6.5618
_cell_length_c                   8.6396
_cell_volume                     350.919
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hartenbach_ZAACAB_2002_969.cif
_cod_data_source_block           Ce1K1S4Si1
_cod_original_cell_volume        350.9191
_cod_original_formula_sum        'Ce1 K1 S4 Si1'
_cod_database_code               1531333
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
K1 K+1 0.7217 0.25 0.9329 1 0.0
S3 S-2 0.0005 0.9982 0.2732 1 0.0
Ce1 Ce+3 0.76945 0.25 0.44972 1 0.0
Si1 Si+4 0.212 0.25 0.3124 1 0.0
S1 S-2 0.4082 0.25 0.1634 1 0.0
S2 S-2 0.3908 0.25 0.5621 1 0.0
