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#$Date: 2018-07-22 03:29:13 +0300 (Sun, 22 Jul 2018) $
#$Revision: 209179 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107146.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107146
loop_
_publ_author_name
'Rysanek, N.'
'Mazurier, A.'
'Laruelle, P.'
'Dagron, C.'
_publ_section_title
;
 Structure du Bromure Sulfure de Neodyme Nd4 Br6 S3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2930
_journal_page_last               2932
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Br6 Nd4 S3'
_chemical_name_systematic        'Nd4 Br6 S3'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-B 2b'
_space_group_name_H-M_alt        'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                94.65
_cell_formula_units_Z            4
_cell_length_a                   29.346
_cell_length_b                   7.156
_cell_length_c                   6.837
_cell_volume                     1431.044
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rysanek_ACBCAR_1980_1256.cif
_cod_data_source_block           Br6Nd4S3
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-22
;
_cod_database_code               2107146
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y+1/2,z
3 -x,-y,-z
4 x,y-1/2,-z
5 x+1/2,y,z+1/2
6 -x+1/2,-y+1/2,z+1/2
7 -x+1/2,-y,-z+1/2
8 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
S2 S-2 0 0.75 0.5483 1 0.0
Nd1 Nd+3 0.1715 0.0943 0.6945 1 0.0
Nd2 Nd+3 0.9428 0.0162 0.6904 1 0.0
Br1 Br-1 0.3436 0.5542 0.5958 1 0.0
Br2 Br-1 0.5518 0.6098 0.6081 1 0.0
S1 S-2 0.884 0.7086 0.5522 1 0.0
Br3 Br-1 0.7644 0.6863 0.5831 1 0.0
