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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/1/54/02/1540268.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_1540268
loop_
_publ_author_name
'Kjekshus, A.'
_publ_section_title
;
 On the crystal structure of ZrSb2 and alpha-HfSb2
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1633
_journal_page_last               1639
_journal_volume                  26
_journal_year                    1972
_chemical_formula_sum            'Sb2 Zr'
_chemical_name_systematic        'Zr Sb2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.9684
_cell_length_b                   9.9672
_cell_length_c                   3.8813
_cell_volume                     579.063
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Kjekshus_ACSAA4_1972_1729.cif
_cod_data_source_block           Sb2Zr1
_cod_original_cell_volume        579.0629
_cod_original_formula_sum        'Sb2 Zr1'
_cod_database_code               1540268
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zr2 Zr+4 0.0067 0.3277 0 1 0.0
Zr1 Zr+4 0.2509 0.5231 0 1 0.0
Sb2 Sb-2 0.1569 0.8393 0 1 0.0
Sb3 Sb-2 0.1986 0.232 0 1 0.0
Sb1 Sb-2 0.4414 0.6145 0 1 0.0
Sb4 Sb-2 0.3978 0.0105 0 1 0.0
