#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/58/1525888.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_1525888
loop_
_publ_author_name
'Demourgues, A.'
'Gravereau, P.'
'Tressaud, A.'
'Laronze, H.'
'Macaudiere, P.'
_publ_section_title
;
 Preparation and structural properties of new series of mixed-anion
 compounds : rare earth fluorosulfides
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              215
_journal_page_last               221
_journal_volume                  107
_journal_year                    2001
_chemical_formula_sum            'Ca F4 S2 Sm2'
_chemical_name_systematic        '(Sm1.72 Ca0.28) (Sm0.28 Ca0.72) F4 S2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.91594
_cell_length_b                   3.91594
_cell_length_c                   19.253
_cell_volume                     295.237
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Demourgues_JFLCAR_2001_1383.cif
_cod_data_source_block           Ca1F4S2Sm2
_cod_original_cell_volume        295.2368
_cod_original_formula_sum        'Ca1 F4 S2 Sm2'
_cod_database_code               1525888
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
Sm1 Sm+3 0 0 0.1564 0.86 0.0
F1 F-1 0 0.391 0.0638 0.5 0.0
Ca1 Ca+2 0 0 0.1564 0.14 0.0
S1 S-2 0.5 0.5 0.1943 1 0.0
Ca2 Ca+2 0 0 0.5 0.72 0.0
Sm2 Sm+3 0 0 0.5 0.28 0.0
