The compound described by Zr2(V2Sb3)3 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to four equivalent Sb(1) and four equivalent Sb(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to four equivalent Sb(1) and four equivalent Sb(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Sb(3), two equivalent Sb(1), and three equivalent Sb(2) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(2), one V(2), and two equivalent V(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Zr(1), one Zr(2), two equivalent V(2), and three equivalent V(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to four equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Zr2(V2Sb3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.767
_cell_length_b   9.767
_cell_length_c   7.241
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.739
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.500  0.000  0.085  1.0
  Zr  Zr1  1  0.000  0.500  0.915  1.0
  Zr  Zr2  1  0.500  0.000  0.587  1.0
  Zr  Zr3  1  0.000  0.500  0.413  1.0
  V  V4  1  0.139  0.000  0.159  1.0
  V  V5  1  0.361  0.500  0.841  1.0
  V  V6  1  0.000  0.139  0.841  1.0
  V  V7  1  0.500  0.639  0.159  1.0
  V  V8  1  0.000  0.861  0.841  1.0
  V  V9  1  0.861  0.000  0.159  1.0
  V  V10  1  0.250  0.750  0.000  1.0
  V  V11  1  0.250  0.250  0.000  1.0
  V  V12  1  0.750  0.750  0.000  1.0
  V  V13  1  0.639  0.500  0.841  1.0
  V  V14  1  0.500  0.361  0.159  1.0
  V  V15  1  0.750  0.250  0.000  1.0
  Sb  Sb16  1  0.827  0.673  0.653  1.0
  Sb  Sb17  1  0.252  0.000  0.817  1.0
  Sb  Sb18  1  0.248  0.500  0.183  1.0
  Sb  Sb19  1  0.673  0.173  0.347  1.0
  Sb  Sb20  1  0.173  0.327  0.653  1.0
  Sb  Sb21  1  0.827  0.327  0.653  1.0
  Sb  Sb22  1  0.752  0.500  0.183  1.0
  Sb  Sb23  1  0.327  0.827  0.347  1.0
  Sb  Sb24  1  0.000  0.252  0.183  1.0
  Sb  Sb25  1  0.673  0.827  0.347  1.0
  Sb  Sb26  1  0.000  0.000  0.500  1.0
  Sb  Sb27  1  0.500  0.752  0.817  1.0
  Sb  Sb28  1  0.000  0.748  0.183  1.0
  Sb  Sb29  1  0.173  0.673  0.653  1.0
  Sb  Sb30  1  0.748  0.000  0.817  1.0
  Sb  Sb31  1  0.327  0.173  0.347  1.0
  Sb  Sb32  1  0.500  0.248  0.817  1.0
  Sb  Sb33  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Zr2(V2Sb3)3 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to four equivalent Sb(1) and four equivalent Sb(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to four equivalent Sb(1) and four equivalent Sb(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Sb(3), two equivalent Sb(1), and three equivalent Sb(2) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(2), one V(2), and two equivalent V(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Zr(1), one Zr(2), two equivalent V(2), and three equivalent V(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to four equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Zr2(V2Sb3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.767
_cell_length_b   9.767
_cell_length_c   7.241
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.739
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.500  0.000  0.085  1.0
  Zr  Zr1  1  0.000  0.500  0.915  1.0
  Zr  Zr2  1  0.500  0.000  0.587  1.0
  Zr  Zr3  1  0.000  0.500  0.413  1.0
  V  V4  1  0.139  0.000  0.159  1.0
  V  V5  1  0.361  0.500  0.841  1.0
  V  V6  1  0.000  0.139  0.841  1.0
  V  V7  1  0.500  0.639  0.159  1.0
  V  V8  1  0.000  0.861  0.841  1.0
  V  V9  1  0.861  0.000  0.159  1.0
  V  V10  1  0.250  0.750  0.000  1.0
  V  V11  1  0.250  0.250  0.000  1.0
  V  V12  1  0.750  0.750  0.000  1.0
  V  V13  1  0.639  0.500  0.841  1.0
  V  V14  1  0.500  0.361  0.159  1.0
  V  V15  1  0.750  0.250  0.000  1.0
  Sb  Sb16  1  0.827  0.673  0.653  1.0
  Sb  Sb17  1  0.252  0.000  0.817  1.0
  Sb  Sb18  1  0.248  0.500  0.183  1.0
  Sb  Sb19  1  0.673  0.173  0.347  1.0
  Sb  Sb20  1  0.173  0.327  0.653  1.0
  Sb  Sb21  1  0.827  0.327  0.653  1.0
  Sb  Sb22  1  0.752  0.500  0.183  1.0
  Sb  Sb23  1  0.327  0.827  0.347  1.0
  Sb  Sb24  1  0.000  0.252  0.183  1.0
  Sb  Sb25  1  0.673  0.827  0.347  1.0
  Sb  Sb26  1  0.000  0.000  0.500  1.0
  Sb  Sb27  1  0.500  0.752  0.817  1.0
  Sb  Sb28  1  0.000  0.748  0.183  1.0
  Sb  Sb29  1  0.173  0.673  0.653  1.0
  Sb  Sb30  1  0.748  0.000  0.817  1.0
  Sb  Sb31  1  0.327  0.173  0.347  1.0
  Sb  Sb32  1  0.500  0.248  0.817  1.0
  Sb  Sb33  1  0.500  0.500  0.500  1.0
[/CIF]
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