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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/1/52/60/1526016.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_1526016
loop_
_publ_author_name
'Meyer, M.'
'Schleid, T.'
'Lissner, F.'
_publ_section_title
;
 Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten
 Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N
 Nd4)(9+)-Tetraeder
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1205
_journal_page_last               1210
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cl3 N Nd4 S3'
_chemical_name_systematic        '(Nd4 N) S3 Cl3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.2278
_cell_length_b                   9.2278
_cell_length_c                   6.8306
_cell_volume                     503.716
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Meyer_ZAACAB_2000_737.cif
_cod_data_source_block           Cl3N1Nd4S3
_cod_original_cell_volume        503.7161
_cod_original_formula_sum        'Cl3 N1 Nd4 S3'
_cod_database_code               1526016
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
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,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
N1 N-3 0.6667 0.3333 0.634 1 0.0
Cl1 Cl-1 0.86949 0.13051 0.3602 1 0.0
Nd1 Nd+3 0.6667 0.3333 0.29301 1 0.0
Nd2 Nd+3 0.79976 0.20024 0.75 1 0.0
S1 S-2 0.53145 0.46855 0.0316 1 0.0
