#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  483
_journal_page_last  485
_publ_section_title
;
Ta~5~Sb~4~
;
loop_
_publ_author_name
  'Kang, Sung Kwon'
  'Miller, Gordon J.'
_chemical_formula_sum  'Sb4 Ta5'
_chemical_formula_iupac  'Ta5 Sb4'
_chemical_formula_weight  1391.75
_symmetry_cell_setting  Tetragonal
_symmetry_space_group_name_H-M  'I 4/m'
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'
_cell_length_a  10.2357(14)
_cell_length_b  10.2357(14)
_cell_length_c  3.5425(7)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  371.15(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  12.454
_diffrn_ambient_temperature  293(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) ?
_cod_database_code 2008329