The material structure described by Zr3NiSb7 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one Sb(5), two equivalent Sb(4), two equivalent Sb(6), and three equivalent Sb(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one Sb(6), two equivalent Sb(1), two equivalent Sb(5), and three equivalent Sb(3) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(5), one Sb(6), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. Ni(1) is bonded in a 6-coordinate geometry to one Sb(4), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(5) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), and two equivalent Zr(2) atoms. In the second Sb site, Sb(6) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms. In the third Sb site, Sb(7) is bonded in a 3-coordinate geometry to two equivalent Zr(3) and one Ni(1) atom. In the fourth Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(3), two equivalent Zr(2), and two equivalent Ni(1) atoms. In the fifth Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Zr(1) and two equivalent Ni(1) atoms. In the sixth Sb site, Sb(3) is bonded in a 5-coordinate geometry to two equivalent Zr(3) and three equivalent Zr(2) atoms. In the seventh Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3NiSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.950
_cell_length_b   14.434
_cell_length_c   17.642
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1005.699
_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
  Zr  Zr0  1  0.250  0.471  0.371  1.0
  Zr  Zr1  1  0.750  0.529  0.629  1.0
  Zr  Zr2  1  0.750  0.971  0.129  1.0
  Zr  Zr3  1  0.250  0.029  0.871  1.0
  Zr  Zr4  1  0.250  0.910  0.392  1.0
  Zr  Zr5  1  0.750  0.090  0.608  1.0
  Zr  Zr6  1  0.750  0.410  0.108  1.0
  Zr  Zr7  1  0.250  0.590  0.892  1.0
  Zr  Zr8  1  0.250  0.309  0.847  1.0
  Zr  Zr9  1  0.750  0.691  0.153  1.0
  Zr  Zr10  1  0.750  0.809  0.653  1.0
  Zr  Zr11  1  0.250  0.191  0.347  1.0
  Ni  Ni12  1  0.250  0.811  0.938  1.0
  Ni  Ni13  1  0.750  0.189  0.062  1.0
  Ni  Ni14  1  0.750  0.311  0.562  1.0
  Ni  Ni15  1  0.250  0.689  0.438  1.0
  Sb  Sb16  1  0.250  0.297  0.022  1.0
  Sb  Sb17  1  0.750  0.703  0.978  1.0
  Sb  Sb18  1  0.750  0.797  0.478  1.0
  Sb  Sb19  1  0.250  0.203  0.522  1.0
  Sb  Sb20  1  0.250  0.076  0.037  1.0
  Sb  Sb21  1  0.750  0.924  0.963  1.0
  Sb  Sb22  1  0.750  0.576  0.463  1.0
  Sb  Sb23  1  0.250  0.424  0.537  1.0
  Sb  Sb24  1  0.250  0.561  0.071  1.0
  Sb  Sb25  1  0.750  0.439  0.929  1.0
  Sb  Sb26  1  0.750  0.061  0.429  1.0
  Sb  Sb27  1  0.250  0.939  0.571  1.0
  Sb  Sb28  1  0.250  0.824  0.090  1.0
  Sb  Sb29  1  0.750  0.176  0.910  1.0
  Sb  Sb30  1  0.750  0.324  0.410  1.0
  Sb  Sb31  1  0.250  0.676  0.590  1.0
  Sb  Sb32  1  0.250  0.355  0.228  1.0
  Sb  Sb33  1  0.750  0.645  0.772  1.0
  Sb  Sb34  1  0.750  0.855  0.272  1.0
  Sb  Sb35  1  0.250  0.145  0.728  1.0
  Sb  Sb36  1  0.250  0.022  0.247  1.0
  Sb  Sb37  1  0.750  0.978  0.753  1.0
  Sb  Sb38  1  0.750  0.522  0.253  1.0
  Sb  Sb39  1  0.250  0.478  0.747  1.0
  Sb  Sb40  1  0.250  0.686  0.291  1.0
  Sb  Sb41  1  0.750  0.314  0.709  1.0
  Sb  Sb42  1  0.750  0.186  0.209  1.0
  Sb  Sb43  1  0.250  0.814  0.791  1.0
[/CIF]
.
The material structure described by Zr3NiSb7 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one Sb(5), two equivalent Sb(4), two equivalent Sb(6), and three equivalent Sb(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one Sb(6), two equivalent Sb(1), two equivalent Sb(5), and three equivalent Sb(3) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(5), one Sb(6), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. Ni(1) is bonded in a 6-coordinate geometry to one Sb(4), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(5) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), and two equivalent Zr(2) atoms. In the second Sb site, Sb(6) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms. In the third Sb site, Sb(7) is bonded in a 3-coordinate geometry to two equivalent Zr(3) and one Ni(1) atom. In the fourth Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(3), two equivalent Zr(2), and two equivalent Ni(1) atoms. In the fifth Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Zr(1) and two equivalent Ni(1) atoms. In the sixth Sb site, Sb(3) is bonded in a 5-coordinate geometry to two equivalent Zr(3) and three equivalent Zr(2) atoms. In the seventh Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3NiSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.950
_cell_length_b   14.434
_cell_length_c   17.642
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1005.699
_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
  Zr  Zr0  1  0.250  0.471  0.371  1.0
  Zr  Zr1  1  0.750  0.529  0.629  1.0
  Zr  Zr2  1  0.750  0.971  0.129  1.0
  Zr  Zr3  1  0.250  0.029  0.871  1.0
  Zr  Zr4  1  0.250  0.910  0.392  1.0
  Zr  Zr5  1  0.750  0.090  0.608  1.0
  Zr  Zr6  1  0.750  0.410  0.108  1.0
  Zr  Zr7  1  0.250  0.590  0.892  1.0
  Zr  Zr8  1  0.250  0.309  0.847  1.0
  Zr  Zr9  1  0.750  0.691  0.153  1.0
  Zr  Zr10  1  0.750  0.809  0.653  1.0
  Zr  Zr11  1  0.250  0.191  0.347  1.0
  Ni  Ni12  1  0.250  0.811  0.938  1.0
  Ni  Ni13  1  0.750  0.189  0.062  1.0
  Ni  Ni14  1  0.750  0.311  0.562  1.0
  Ni  Ni15  1  0.250  0.689  0.438  1.0
  Sb  Sb16  1  0.250  0.297  0.022  1.0
  Sb  Sb17  1  0.750  0.703  0.978  1.0
  Sb  Sb18  1  0.750  0.797  0.478  1.0
  Sb  Sb19  1  0.250  0.203  0.522  1.0
  Sb  Sb20  1  0.250  0.076  0.037  1.0
  Sb  Sb21  1  0.750  0.924  0.963  1.0
  Sb  Sb22  1  0.750  0.576  0.463  1.0
  Sb  Sb23  1  0.250  0.424  0.537  1.0
  Sb  Sb24  1  0.250  0.561  0.071  1.0
  Sb  Sb25  1  0.750  0.439  0.929  1.0
  Sb  Sb26  1  0.750  0.061  0.429  1.0
  Sb  Sb27  1  0.250  0.939  0.571  1.0
  Sb  Sb28  1  0.250  0.824  0.090  1.0
  Sb  Sb29  1  0.750  0.176  0.910  1.0
  Sb  Sb30  1  0.750  0.324  0.410  1.0
  Sb  Sb31  1  0.250  0.676  0.590  1.0
  Sb  Sb32  1  0.250  0.355  0.228  1.0
  Sb  Sb33  1  0.750  0.645  0.772  1.0
  Sb  Sb34  1  0.750  0.855  0.272  1.0
  Sb  Sb35  1  0.250  0.145  0.728  1.0
  Sb  Sb36  1  0.250  0.022  0.247  1.0
  Sb  Sb37  1  0.750  0.978  0.753  1.0
  Sb  Sb38  1  0.750  0.522  0.253  1.0
  Sb  Sb39  1  0.250  0.478  0.747  1.0
  Sb  Sb40  1  0.250  0.686  0.291  1.0
  Sb  Sb41  1  0.750  0.314  0.709  1.0
  Sb  Sb42  1  0.750  0.186  0.209  1.0
  Sb  Sb43  1  0.250  0.814  0.791  1.0
[/CIF]
.