#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/22/1532233.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_1532233
loop_
_publ_author_name
'Wakeshima, M.'
'Yamaguchi, Y.'
'Taira, N.'
'Tobo, A.'
'Ohoyama, K.'
'Hinatsu, Y.'
_publ_section_title
;
 Specific heat and neutron diffraction study on quaternary sulfides Ba Nd2
 Co S5 and Ba Nd2 Zn S5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              159
_journal_page_last               164
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Ba Co Nd2 S5'
_chemical_name_systematic        'Ba Nd2 (Co S4) S'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7782
_cell_length_b                   7.7782
_cell_length_c                   13.5132
_cell_volume                     817.554
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wakeshima_JSSCBI_2003_1621.cif
_cod_data_source_block           Ba1Co1Nd2S5
_cod_original_formula_sum        'Ba1 Co1 Nd2 S5'
_cod_database_code               1532233
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
Co1 Co+2 0 0.5 0.25 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Nd1 Nd+3 0.1622 0.6622 0 1 0.0
S1 S-2 0 0 0 1 0.0
S2 S-2 0.147 0.647 0.6345 1 0.0
