#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528608.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_1528608
loop_
_publ_author_name
'Jin Gengbang'
'Choi Eunsang'
'Albrecht-Schmitt, T.E.'
_publ_section_title
;
 Syntheses, structures, magnetism, and optical properties of gadolinium
 scandium chalcogenides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1075
_journal_page_last               1081
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Gd S3 Sc'
_chemical_name_systematic        'Gd Sc S3'
_space_group_IT_number           62
_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                   7.0361
_cell_length_b                   9.4574
_cell_length_c                   6.3833
_cell_volume                     424.765
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            JinGengbang_JSSCBI_2009_1728.cif
_cod_data_source_block           Gd1S3Sc1
_cod_original_cell_volume        424.7653
_cod_original_formula_sum        'Gd1 S3 Sc1'
_cod_database_code               1528608
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
S2 S-2 0.9553 0.25 0.6385 1 0.0
Sc1 Sc+3 0 0 0.5 1 0.0
Gd1 Gd+3 0.09845 0.25 0.03744 1 0.0
S1 S-2 0.3151 0.43309 0.3248 1 0.0
