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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/1/53/20/1532079.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_1532079
loop_
_publ_author_name
'Pauwels, D.'
'Demourgues, A.'
'Isnard, O.'
'Tressaud, A.'
'Laronze, H.'
'Guillen, F.'
'Gravereau, P.'
_publ_section_title
;
 Structural features of new rare earth-based mixed anions (O, S, F)
 compounds: relationships between optical absorption and rare earth
 environment
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1471
_journal_page_last               1479
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'F3 La3 O S2'
_chemical_name_systematic        'La3 O F3 S2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.804
_cell_length_b                   5.784
_cell_length_c                   19.482
_cell_volume                     654.017
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Pauwels_SSSCFJ_2002_903.cif
_cod_data_source_block           F3La3O1S2
_cod_original_cell_volume        654.0173
_cod_original_formula_sum        'F3 La3 O1 S2'
_cod_database_code               1532079
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
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
F1 F-1 0 0 0.427 1 0.0
S1 S-2 0.744 0.257 0.304 1 0.0
F2 F-1 0.56 0.053 0.061 0.5 0.0
O1 O-2 0.45 0.047 0.43 0.5 0.0
La1 La+3 0.2597 0.256 0 1 0.0
F3 F-1 0 0 0.076 1 0.0
La2 La+3 0.7488 0.258 0.155 1 0.0
