The crystal structure described by Zr4CuSb7 crystallizes in the tetragonal P4bm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(5), and four equivalent Sb(6) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one Cu(1), one Sb(3), one Sb(4), two equivalent Sb(6), and four equivalent Sb(5) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to two equivalent Cu(1), one Sb(1), two equivalent Sb(4), and four equivalent Sb(5) atoms. In the fourth Zr site, Zr(4) is bonded in a 9-coordinate geometry to one Cu(1), one Sb(1), one Sb(2), one Sb(4), one Sb(5), two equivalent Sb(3), and two equivalent Sb(6) atoms. Cu(1) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(3), two equivalent Zr(4), two equivalent Sb(4), and two equivalent Sb(6) atoms. There are six inequivalent Sb sites. In the first Sb site, Sb(5) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(3), one Zr(4), and two equivalent Zr(2) atoms. In the second Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(2), two equivalent Zr(4), one Cu(1), one Sb(4), and two equivalent Sb(6) atoms. In the third Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(3) and four equivalent Zr(4) atoms. In the fourth Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Zr(1) and four equivalent Zr(4) atoms. In the fifth Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Zr(2) and four equivalent Zr(4) atoms. In the sixth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(3), two equivalent Zr(4), two equivalent Cu(1), and two equivalent Sb(6) atoms. is represented by the CIF file [CIF]
data_Zr4CuSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.290
_cell_length_b   11.290
_cell_length_c   8.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1118.263
_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  0.500  0.500  0.301  1.0
  Zr  Zr1  1  0.000  0.000  0.301  1.0
  Zr  Zr2  1  0.746  0.246  0.293  1.0
  Zr  Zr3  1  0.254  0.754  0.293  1.0
  Zr  Zr4  1  0.246  0.254  0.293  1.0
  Zr  Zr5  1  0.754  0.746  0.293  1.0
  Zr  Zr6  1  0.000  0.500  0.285  1.0
  Zr  Zr7  1  0.500  0.000  0.285  1.0
  Zr  Zr8  1  0.005  0.249  0.820  1.0
  Zr  Zr9  1  0.995  0.751  0.820  1.0
  Zr  Zr10  1  0.505  0.251  0.820  1.0
  Zr  Zr11  1  0.495  0.749  0.820  1.0
  Zr  Zr12  1  0.751  0.005  0.820  1.0
  Zr  Zr13  1  0.249  0.995  0.820  1.0
  Zr  Zr14  1  0.749  0.505  0.820  1.0
  Zr  Zr15  1  0.251  0.495  0.820  1.0
  Cu  Cu16  1  0.874  0.374  0.552  1.0
  Cu  Cu17  1  0.126  0.626  0.552  1.0
  Cu  Cu18  1  0.374  0.126  0.552  1.0
  Cu  Cu19  1  0.626  0.874  0.552  1.0
  Sb  Sb20  1  0.000  0.500  0.933  1.0
  Sb  Sb21  1  0.500  0.000  0.933  1.0
  Sb  Sb22  1  0.500  0.500  0.947  1.0
  Sb  Sb23  1  0.000  0.000  0.947  1.0
  Sb  Sb24  1  0.253  0.247  0.942  1.0
  Sb  Sb25  1  0.747  0.753  0.942  1.0
  Sb  Sb26  1  0.753  0.253  0.942  1.0
  Sb  Sb27  1  0.247  0.747  0.942  1.0
  Sb  Sb28  1  0.108  0.392  0.558  1.0
  Sb  Sb29  1  0.892  0.608  0.558  1.0
  Sb  Sb30  1  0.608  0.108  0.558  1.0
  Sb  Sb31  1  0.392  0.892  0.558  1.0
  Sb  Sb32  1  0.497  0.251  0.175  1.0
  Sb  Sb33  1  0.503  0.749  0.175  1.0
  Sb  Sb34  1  0.997  0.249  0.175  1.0
  Sb  Sb35  1  0.003  0.751  0.175  1.0
  Sb  Sb36  1  0.749  0.497  0.175  1.0
  Sb  Sb37  1  0.251  0.503  0.175  1.0
  Sb  Sb38  1  0.751  0.997  0.175  1.0
  Sb  Sb39  1  0.249  0.003  0.175  1.0
  Sb  Sb40  1  0.643  0.375  0.557  1.0
  Sb  Sb41  1  0.357  0.625  0.557  1.0
  Sb  Sb42  1  0.143  0.125  0.557  1.0
  Sb  Sb43  1  0.857  0.875  0.557  1.0
  Sb  Sb44  1  0.625  0.643  0.557  1.0
  Sb  Sb45  1  0.375  0.357  0.557  1.0
  Sb  Sb46  1  0.875  0.143  0.557  1.0
  Sb  Sb47  1  0.125  0.857  0.557  1.0
[/CIF]
.
The crystal structure described by Zr4CuSb7 crystallizes in the tetragonal P4bm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(5), and four equivalent Sb(6) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one Cu(1), one Sb(3), one Sb(4), two equivalent Sb(6), and four equivalent Sb(5) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to two equivalent Cu(1), one Sb(1), two equivalent Sb(4), and four equivalent Sb(5) atoms. In the fourth Zr site, Zr(4) is bonded in a 9-coordinate geometry to one Cu(1), one Sb(1), one Sb(2), one Sb(4), one Sb(5), two equivalent Sb(3), and two equivalent Sb(6) atoms. Cu(1) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(3), two equivalent Zr(4), two equivalent Sb(4), and two equivalent Sb(6) atoms. There are six inequivalent Sb sites. In the first Sb site, Sb(5) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(3), one Zr(4), and two equivalent Zr(2) atoms. In the second Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(2), two equivalent Zr(4), one Cu(1), one Sb(4), and two equivalent Sb(6) atoms. In the third Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(3) and four equivalent Zr(4) atoms. In the fourth Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Zr(1) and four equivalent Zr(4) atoms. In the fifth Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Zr(2) and four equivalent Zr(4) atoms. In the sixth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(3), two equivalent Zr(4), two equivalent Cu(1), and two equivalent Sb(6) atoms. is represented by the CIF file [CIF]
data_Zr4CuSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.290
_cell_length_b   11.290
_cell_length_c   8.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1118.263
_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  0.500  0.500  0.301  1.0
  Zr  Zr1  1  0.000  0.000  0.301  1.0
  Zr  Zr2  1  0.746  0.246  0.293  1.0
  Zr  Zr3  1  0.254  0.754  0.293  1.0
  Zr  Zr4  1  0.246  0.254  0.293  1.0
  Zr  Zr5  1  0.754  0.746  0.293  1.0
  Zr  Zr6  1  0.000  0.500  0.285  1.0
  Zr  Zr7  1  0.500  0.000  0.285  1.0
  Zr  Zr8  1  0.005  0.249  0.820  1.0
  Zr  Zr9  1  0.995  0.751  0.820  1.0
  Zr  Zr10  1  0.505  0.251  0.820  1.0
  Zr  Zr11  1  0.495  0.749  0.820  1.0
  Zr  Zr12  1  0.751  0.005  0.820  1.0
  Zr  Zr13  1  0.249  0.995  0.820  1.0
  Zr  Zr14  1  0.749  0.505  0.820  1.0
  Zr  Zr15  1  0.251  0.495  0.820  1.0
  Cu  Cu16  1  0.874  0.374  0.552  1.0
  Cu  Cu17  1  0.126  0.626  0.552  1.0
  Cu  Cu18  1  0.374  0.126  0.552  1.0
  Cu  Cu19  1  0.626  0.874  0.552  1.0
  Sb  Sb20  1  0.000  0.500  0.933  1.0
  Sb  Sb21  1  0.500  0.000  0.933  1.0
  Sb  Sb22  1  0.500  0.500  0.947  1.0
  Sb  Sb23  1  0.000  0.000  0.947  1.0
  Sb  Sb24  1  0.253  0.247  0.942  1.0
  Sb  Sb25  1  0.747  0.753  0.942  1.0
  Sb  Sb26  1  0.753  0.253  0.942  1.0
  Sb  Sb27  1  0.247  0.747  0.942  1.0
  Sb  Sb28  1  0.108  0.392  0.558  1.0
  Sb  Sb29  1  0.892  0.608  0.558  1.0
  Sb  Sb30  1  0.608  0.108  0.558  1.0
  Sb  Sb31  1  0.392  0.892  0.558  1.0
  Sb  Sb32  1  0.497  0.251  0.175  1.0
  Sb  Sb33  1  0.503  0.749  0.175  1.0
  Sb  Sb34  1  0.997  0.249  0.175  1.0
  Sb  Sb35  1  0.003  0.751  0.175  1.0
  Sb  Sb36  1  0.749  0.497  0.175  1.0
  Sb  Sb37  1  0.251  0.503  0.175  1.0
  Sb  Sb38  1  0.751  0.997  0.175  1.0
  Sb  Sb39  1  0.249  0.003  0.175  1.0
  Sb  Sb40  1  0.643  0.375  0.557  1.0
  Sb  Sb41  1  0.357  0.625  0.557  1.0
  Sb  Sb42  1  0.143  0.125  0.557  1.0
  Sb  Sb43  1  0.857  0.875  0.557  1.0
  Sb  Sb44  1  0.625  0.643  0.557  1.0
  Sb  Sb45  1  0.375  0.357  0.557  1.0
  Sb  Sb46  1  0.875  0.143  0.557  1.0
  Sb  Sb47  1  0.125  0.857  0.557  1.0
[/CIF]
.