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#$Date: 2015-10-07 18:13:29 +0300 (Wed, 07 Oct 2015) $
#$Revision: 160805 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106842.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106842
loop_
_publ_author_name
'Besancon, P.'
'Carre, D.'
'Laruelle, P.'
_publ_section_title
;
 Mecanisme de la solution solide des oxysulfures de terres rares L10 S15-x
 Ox
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1064
_journal_page_last               1066
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'La10 O0.5 S14.5'
_chemical_name_systematic        'La10 S14.5 O0.5'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.49
_cell_length_b                   15.49
_cell_length_c                   20.52
_cell_volume                     4923.571
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Besancon_ACBCAR_1973_755.cif
_cod_data_source_block           La10O0.5S14.5
_cod_database_code               2106842
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z+1/2
y+1/4,x+3/4,-z+3/4
-x+1/2,y,-z
-y+1/4,-x+1/4,-z+1/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z-1/2
-y-1/4,-x-3/4,z-3/4
x-1/2,-y,z
y-1/4,x-1/4,z-1/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1
y+3/4,x+5/4,-z+5/4
-x+1,y+1/2,-z+1/2
-y+3/4,-x+3/4,-z+3/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z
-y+1/4,-x-1/4,z-1/4
x,-y+1/2,z+1/2
y+1/4,x+1/4,z+1/4
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
S3 S-2 0.039 0.0721 0.1712 1 0.0
S4 S-2 0.3468 0 0.25 1 0.0
O1 O-2 0.5 0.25 0.125 0.5 0.0
La1 La+3 0.1255 0.0297 0.0458 1 0.0
La2 La+3 0.3576 0.2616 0.0539 1 0.0
S2 S-2 0.3402 0.0778 0.0924 1 0.0
S5 S-2 0.5 0.25 0.125 0.5 0.0
La3 La+3 0.1334 0.3834 0.125 1 0.0
S1 S-2 0.0268 0.3826 0.0053 1 0.0
