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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/02/1540270.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_1540270
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            'Hf 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                   14.989
_cell_length_b                   9.9781
_cell_length_c                   3.8506
_cell_volume                     575.902
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Kjekshus_ACSAA4_1972_1730.cif
_cod_data_source_block           Hf1Sb2
_cod_original_cell_volume        575.9025
_cod_original_formula_sum        'Hf1 Sb2'
_cod_database_code               1540270
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
Sb1 Sb-2 0.4416 0.6146 0 1 0.0
Sb4 Sb-2 0.3968 0.0127 0 1 0.0
Sb2 Sb-2 0.1578 0.8395 0 1 0.0
Hf2 Hf+4 0.0076 0.3299 0 1 0.0
Hf1 Hf+4 0.2492 0.5281 0 1 0.0
Sb3 Sb-2 0.1989 0.2353 0 1 0.0
