#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/14/1531405.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_1531405
loop_
_publ_author_name
'Grossholz, H.'
'Schleid, T.'
_publ_section_title
;
 Dy3 O F5 S : das erste Oxidfluoridsulfid eines Lanthanoids
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1012
_journal_page_last               1016
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Dy3 F5 O S'
_chemical_name_systematic        'Dy3 O F5 S'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.4258
_cell_length_b                   9.4258
_cell_length_c                   3.6812
_cell_volume                     283.241
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Grossholz_ZAACAB_2002_961.cif
_cod_data_source_block           Dy3F5O1S1
_cod_original_cell_volume        283.2413
_cod_original_formula_sum        'Dy3 F5 O1 S1'
_cod_database_code               1531405
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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 0.1539 0.2667 0.25 1 0.0
Dy1 Dy+3 0.41126 0.29218 0.25 1 0.0
F2 F-1 0.4298 0.0468 0.25 0.667 0.0
O1 O-2 0.4298 0.0468 0.25 0.333 0.0
S1 S-2 0.3333 0.6667 0.25 1 0.0
