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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107153.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_2107153
loop_
_publ_author_name
'Savigny, N.'
'Adolphe, C.'
'Zalkin, A.'
'Templeton, D.H.'
_publ_section_title
;
 Structure de Nd S Br et des sulfobromures de terres rares isotypes
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1532
_journal_page_last               1535
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Br Nd S'
_chemical_name_systematic        'Nd S Br'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                99.28
_cell_formula_units_Z            4
_cell_length_a                   6.94
_cell_length_b                   6.91
_cell_length_c                   7.05
_cell_volume                     333.661
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Savigny_ACBCAR_1973_1012.cif
_cod_data_source_block           Br1Nd1S1
_cod_original_cell_volume        333.6607
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'Br1 Nd1 S1'
_cod_database_code               2107153
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x,-y,-z
x,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
Br1 Br-1 0.0847 0.2872 0.116 1 0.0
Nd1 Nd+3 0.3177 0.2106 0.4647 1 0.0
S1 S-2 0.5543 0.0083 0.2396 1 0.0
