#------------------------------------------------------------------------------
#$Date: 2016-11-05 12:11:29 +0200 (Sat, 05 Nov 2016) $
#$Revision: 187865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/45/1544501.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_1544501
loop_
_publ_author_name
'Misawa, Y.'
'Doi, Y.'
'Hinatsu, Y.'
_publ_section_title
;
 Crystal structures and magnetic properties of ternary sulfides BaLn2S4
 (Ln = Sm, Gd-Lu)
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              85
_journal_page_last               88
_journal_volume                  117
_journal_year                    2009
_chemical_formula_sum            'Ba S4 Sm2'
_chemical_name_common            BaSm2S4
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2464(6)
_cell_length_b                   4.1219(2)
_cell_length_c                   14.6816(7)
_cell_volume                     741.10(6)
_cod_data_source_file            BaSm2S4.cif
_cod_data_source_block           BaSm2S4
_cod_original_formula_sum        'Ba Sm2 S4'
_cod_database_code               1544501
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Ba 1.0 0.7545(2) 0.250000 0.65950(10) Biso 0.380000 Ba
Sm1 1.0 0.4243(2) 0.250000 0.10420(10) Biso 0.430000 Sm
Sm2 1.0 0.4243(2) 0.250000 0.60720(10) Biso 0.430000 Sm
S1 1.0 0.2102(7) 0.250000 0.1736(5) Biso 0.220000 S
S2 1.0 0.1310(7) 0.250000 0.4786(7) Biso 0.220000 S
S3 1.0 0.5159(7) 0.250000 0.7823(5) Biso 0.220000 S
S4 1.0 0.4200(7) 0.250000 0.4208(5) Biso 0.220000 S
