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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/1/53/21/1532166.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_1532166
loop_
_publ_author_name
'Schleid, T.'
'Grossholz, H.'
_publ_section_title
;
 Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im
 A-Typ mit (Pb F Cl)-Struktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2693
_journal_page_last               2699
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'F Nd S'
_chemical_name_systematic        'Nd F S'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9389
_cell_length_b                   3.9389
_cell_length_c                   6.9158
_cell_volume                     107.298
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schleid_ZAACAB_2001_56.cif
_cod_data_source_block           F1Nd1S1
_cod_original_cell_volume        107.2982
_cod_original_formula_sum        'F1 Nd1 S1'
_cod_database_code               1532166
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,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
S1 S-2 0.25 0.25 0.6486 1 0.0
F1 F-1 0.75 0.25 0 1 0.0
Nd1 Nd+3 0.25 0.25 0.23007 1 0.0
