The compound described by Na2Ba3Sb4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sb(1), two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Sb(1), two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(4), two equivalent Sb(1), and two equivalent Sb(3) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Na(1), two equivalent Na(2), one Ba(1), one Ba(2), two equivalent Ba(3), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Na(2), two equivalent Na(1), one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(2), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sb(3) atom. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Na(1), two equivalent Na(2), one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Sb(4) atom. is represented by the CIF file [CIF]
data_Ba3(NaSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.282
_cell_length_b   9.290
_cell_length_c   19.567
_cell_angle_alpha   61.904
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1328.064
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.988  0.787  0.404  1.0
  Ba  Ba1  1  0.488  0.213  0.096  1.0
  Ba  Ba2  1  0.012  0.908  0.904  1.0
  Ba  Ba3  1  0.512  0.092  0.596  1.0
  Ba  Ba4  1  0.012  0.213  0.596  1.0
  Ba  Ba5  1  0.512  0.787  0.904  1.0
  Ba  Ba6  1  0.988  0.092  0.096  1.0
  Ba  Ba7  1  0.488  0.908  0.404  1.0
  Ba  Ba8  1  0.174  0.451  0.868  1.0
  Ba  Ba9  1  0.674  0.549  0.632  1.0
  Ba  Ba10  1  0.826  0.549  0.132  1.0
  Ba  Ba11  1  0.326  0.451  0.368  1.0
  Na  Na12  1  0.654  0.777  0.248  1.0
  Na  Na13  1  0.154  0.223  0.252  1.0
  Na  Na14  1  0.346  0.223  0.752  1.0
  Na  Na15  1  0.846  0.777  0.748  1.0
  Na  Na16  1  0.823  0.288  0.376  1.0
  Na  Na17  1  0.323  0.712  0.124  1.0
  Na  Na18  1  0.177  0.712  0.624  1.0
  Na  Na19  1  0.677  0.288  0.876  1.0
  Sb  Sb20  1  0.521  0.325  0.253  1.0
  Sb  Sb21  1  0.021  0.675  0.247  1.0
  Sb  Sb22  1  0.479  0.675  0.747  1.0
  Sb  Sb23  1  0.979  0.325  0.753  1.0
  Sb  Sb24  1  0.775  0.117  0.250  1.0
  Sb  Sb25  1  0.275  0.883  0.250  1.0
  Sb  Sb26  1  0.225  0.883  0.750  1.0
  Sb  Sb27  1  0.725  0.117  0.750  1.0
  Sb  Sb28  1  0.657  0.502  0.463  1.0
  Sb  Sb29  1  0.157  0.498  0.037  1.0
  Sb  Sb30  1  0.349  0.071  0.962  1.0
  Sb  Sb31  1  0.849  0.929  0.538  1.0
  Sb  Sb32  1  0.343  0.498  0.537  1.0
  Sb  Sb33  1  0.843  0.502  0.963  1.0
  Sb  Sb34  1  0.651  0.929  0.038  1.0
  Sb  Sb35  1  0.151  0.071  0.462  1.0
[/CIF]
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The compound described by Na2Ba3Sb4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sb(1), two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Sb(1), two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(4), two equivalent Sb(1), and two equivalent Sb(3) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Na(1), two equivalent Na(2), one Ba(1), one Ba(2), two equivalent Ba(3), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Na(2), two equivalent Na(1), one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(2), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sb(3) atom. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Na(1), two equivalent Na(2), one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Sb(4) atom. is represented by the CIF file [CIF]
data_Ba3(NaSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.282
_cell_length_b   9.290
_cell_length_c   19.567
_cell_angle_alpha   61.904
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1328.064
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.988  0.787  0.404  1.0
  Ba  Ba1  1  0.488  0.213  0.096  1.0
  Ba  Ba2  1  0.012  0.908  0.904  1.0
  Ba  Ba3  1  0.512  0.092  0.596  1.0
  Ba  Ba4  1  0.012  0.213  0.596  1.0
  Ba  Ba5  1  0.512  0.787  0.904  1.0
  Ba  Ba6  1  0.988  0.092  0.096  1.0
  Ba  Ba7  1  0.488  0.908  0.404  1.0
  Ba  Ba8  1  0.174  0.451  0.868  1.0
  Ba  Ba9  1  0.674  0.549  0.632  1.0
  Ba  Ba10  1  0.826  0.549  0.132  1.0
  Ba  Ba11  1  0.326  0.451  0.368  1.0
  Na  Na12  1  0.654  0.777  0.248  1.0
  Na  Na13  1  0.154  0.223  0.252  1.0
  Na  Na14  1  0.346  0.223  0.752  1.0
  Na  Na15  1  0.846  0.777  0.748  1.0
  Na  Na16  1  0.823  0.288  0.376  1.0
  Na  Na17  1  0.323  0.712  0.124  1.0
  Na  Na18  1  0.177  0.712  0.624  1.0
  Na  Na19  1  0.677  0.288  0.876  1.0
  Sb  Sb20  1  0.521  0.325  0.253  1.0
  Sb  Sb21  1  0.021  0.675  0.247  1.0
  Sb  Sb22  1  0.479  0.675  0.747  1.0
  Sb  Sb23  1  0.979  0.325  0.753  1.0
  Sb  Sb24  1  0.775  0.117  0.250  1.0
  Sb  Sb25  1  0.275  0.883  0.250  1.0
  Sb  Sb26  1  0.225  0.883  0.750  1.0
  Sb  Sb27  1  0.725  0.117  0.750  1.0
  Sb  Sb28  1  0.657  0.502  0.463  1.0
  Sb  Sb29  1  0.157  0.498  0.037  1.0
  Sb  Sb30  1  0.349  0.071  0.962  1.0
  Sb  Sb31  1  0.849  0.929  0.538  1.0
  Sb  Sb32  1  0.343  0.498  0.537  1.0
  Sb  Sb33  1  0.843  0.502  0.963  1.0
  Sb  Sb34  1  0.651  0.929  0.038  1.0
  Sb  Sb35  1  0.151  0.071  0.462  1.0
[/CIF]
.