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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/2/31/05/2310577.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_2310577
loop_
_publ_author_name
'Ferro, R.'
_publ_section_title
;
 The crystal structures of thorium antimonides
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              817
_journal_page_last               818
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'Sb2 Th'
_chemical_name_systematic        'Th Sb2'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.353
_cell_length_b                   4.353
_cell_length_c                   9.172
_cell_volume                     173.797
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ferro_ACCRA9_1956_207.cif
_cod_data_source_block           Sb2Th1
_cod_original_cell_volume        173.7966
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Sb2 Th1'
_cod_database_code               2310577
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,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
Sb1 Sb-2 0 0 0 1 0.0
Th1 Th+4 0 0.5 0.275 1 0.0
Sb2 Sb-2 0 0.5 0.637 1 0.0
