#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2008329.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_2008329
loop_
_publ_author_name
'Kang, Sung Kwon'
'Miller, Gordon J.'
_publ_section_title
;
Ta~5~Sb~4~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              483
_journal_page_last               485
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'Ta5 Sb4'
_chemical_formula_sum            'Sb4 Ta5'
_chemical_formula_weight         1391.75
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.2357(14)
_cell_length_b                   10.2357(14)
_cell_length_c                   3.5425(7)
_cell_measurement_temperature    293(2)
_cell_volume                     371.15(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    12.454
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2008329
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ta1 0 0 0 0.0050(4) Uani d S 1 . . Ta
Ta2 0.37078(8) 0.31212(8) 0 0.0066(3) Uani d S 1 . . Ta
Sb3 0.29588(13) 0.05161(13) 0 0.0066(4) Uani d S 1 . . Sb
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ta1 0.0041(5) 0.0041(5) 0.0067(9) 0.000 0.000 0.000
Ta2 0.0046(4) 0.0049(4) 0.0102(5) -0.0003(3) 0.000 0.000
Sb3 0.0069(6) 0.0047(6) 0.0082(8) -0.0003(4) 0.000 0.000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ta1 Ta2 13 2.9300(7) ?
Ta1 Ta2 5_444 2.9300(7) ?
Ta1 Ta2 15_454 2.9300(7) ?
Ta1 Ta2 7_545 2.9300(7) ?
Ta1 Ta2 15_455 2.9300(7) ?
Ta1 Ta2 5_445 2.9300(7) ?
Ta1 Ta2 7_544 2.9300(7) ?
Ta1 Ta2 13_554 2.9300(7) ?
Ta1 Sb3 . 3.0743(14) ?
Ta1 Sb3 3 3.0743(14) ?
Ta1 Sb3 9 3.0743(14) ?
Ta1 Sb3 11 3.0743(14) ?
Ta2 Sb3 . 2.7746(15) ?
Ta2 Sb3 15 2.7902(13) ?
Ta2 Sb3 15_554 2.7902(13) ?
Ta2 Sb3 13_554 2.8272(13) ?
Ta2 Sb3 13 2.8272(13) ?
Ta2 Ta1 5 2.9300(7) ?
Ta2 Ta1 5_554 2.9300(7) ?
Ta2 Ta2 13_554 3.2966(14) ?
Ta2 Ta2 13 3.2966(14) ?
Ta2 Ta2 3_655 3.3008(12) ?
Ta2 Ta2 11_565 3.3008(12) ?
Sb3 Ta2 7_544 2.7902(13) ?
Sb3 Ta2 7_545 2.7902(13) ?
Sb3 Ta2 13_554 2.8272(13) ?
Sb3 Ta2 13 2.8272(13) ?