data_2008660
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1044
_journal_page_last  1046
_publ_section_title
;
Pentabarium tetraantimonide, \b-Ba~5~Sb~4~: a more symmetrical arrangement for
the Ba~5~Sb~4~ compound
;
loop_
_publ_author_name
  'Derrien, Gaelle'
  'Monconduit, Laure'
  'Tillard, Monique'
  'Belin, Claude'
_chemical_formula_moiety  'Ba5 Sb4'
_chemical_formula_sum  'Ba5 Sb4'
_chemical_formula_weight  1173.70
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'C m c a'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, -z'
  'x, -y+1/2, z+1/2'
  'x, y+1/2, -z+1/2'
  'x+1/2, y+1/2, z'
  'x+1/2, -y+1/2, -z'
  'x+1/2, -y+1, z+1/2'
  'x+1/2, y+1, -z+1/2'
  '-x, -y, -z'
  '-x, y, z'
  '-x, y-1/2, -z-1/2'
  '-x, -y-1/2, z-1/2'
  '-x+1/2, -y+1/2, -z'
  '-x+1/2, y+1/2, z'
  '-x+1/2, y, -z-1/2'
  '-x+1/2, -y, z-1/2'
_cell_length_a  17.749(3)
_cell_length_b  9.021(3)
_cell_length_c  9.059(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1450.4(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  5.375
_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
  Ba1 0.14613(4) 0.17003(10) 0.66594(9) 0.0160(2) Uani d . 1 . . Ba
  Ba2 0 0.5 0.5 0.0159(4) Uani d S 1 . . Ba
  Sb1 0.30151(7) 0 0.5 0.0146(3) Uani d S 1 . . Sb
  Sb2 0 0.11275(15) 0.38701(14) 0.0151(3) 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
  Ba1 0.0126(3) 0.0197(4) 0.0158(3) 0.0019(4) 0.0000(3) 0.0041(3)
  Ba2 0.0106(7) 0.0198(9) 0.0173(7) 0.000 0.000 -0.0008(6)
  Sb1 0.0099(6) 0.0166(6) 0.0174(6) 0.000 0.000 -0.0034(5)
  Sb2 0.0129(5) 0.0172(6) 0.0152(6) 0.000 0.000 0.0019(5)
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
  Ba1 Sb1 13_556 3.4618(13) yes
  Ba1 Sb1 . 3.4954(13) yes
  Ba1 Sb1 15_557 3.5178(10) yes
  Ba1 Sb2 . 3.6576(13) yes
  Ba1 Sb2 9_556 3.6693(15) yes
  Ba1 Sb2 3 3.8181(13) yes
  Ba1 Ba1 15_557 3.989(2) yes
  Ba1 Ba2 . 4.2246(12) yes
  Ba1 Ba2 3 4.2706(9) yes
  Ba1 Ba1 2_556 4.295(2) yes
  Ba1 Ba1 3 4.7537(10) yes
  Ba1 Ba1 3_554 4.7537(10) yes
  Ba2 Sb1 5_455 3.5230(13) yes
  Ba2 Sb1 13_556 3.5230(13) yes
  Ba2 Sb2 9_566 3.640(2) yes
  Ba2 Sb2 . 3.640(2) yes
  Ba2 Sb2 11_566 3.6504(14) yes
  Ba2 Sb2 3 3.6504(14) yes
  Ba2 Ba1 2_566 4.2246(12) yes
  Ba2 Ba1 10 4.2246(12) yes
  Ba2 Ba1 9_566 4.2246(12) yes
  Ba2 Ba1 4_556 4.2706(9) yes
  Ba2 Ba1 12_565 4.2706(9) yes
  Sb1 Ba1 14_545 3.4618(13) yes
  Sb1 Ba1 13_556 3.4618(13) yes
  Sb1 Ba1 2_556 3.4954(13) yes
  Sb1 Ba1 15_557 3.5178(10) yes
  Sb1 Ba1 16 3.5178(10) yes
  Sb1 Ba2 5_545 3.5230(13) yes
  Sb2 Sb2 9_556 2.886(3) yes
  Sb2 Ba2 3_554 3.6504(14) yes
  Sb2 Ba1 10 3.6576(13) yes
  Sb2 Ba1 9_556 3.6693(15) yes
  Sb2 Ba1 2_556 3.6693(15) yes
  Sb2 Ba1 3_554 3.8181(13) yes
  Sb2 Ba1 12_565 3.8181(13) yes