The structure described by Zr7Sb4 crystallizes in the monoclinic P2_1/c space group. There are seven inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and two equivalent Sb(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), and two equivalent Sb(1) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and two equivalent Sb(4) atoms. In the fifth Zr site, Zr(5) is bonded to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms to form a mixture of distorted corner and edge-sharing ZrSb6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the sixth Zr site, Zr(6) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. In the seventh Zr site, Zr(7) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(4), and two equivalent Sb(2) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Zr(2), one Zr(3), one Zr(5), one Zr(6), one Zr(7), two equivalent Zr(1), and two equivalent Zr(4) atoms. In the second Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(3), one Zr(4), one Zr(5), one Zr(6), one Zr(7), and two equivalent Zr(2) atoms. In the third Sb site, Sb(2) is bonded in a 10-coordinate geometry to one Zr(1), one Zr(2), one Zr(4), one Zr(6), two equivalent Zr(3), two equivalent Zr(5), and two equivalent Zr(7) atoms. In the fourth Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(2), one Zr(4), two equivalent Zr(3), two equivalent Zr(5), and two equivalent Zr(6) atoms. is represented by the CIF card [CIF]
data_Zr7Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.529
_cell_length_b   11.164
_cell_length_c   11.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.774
_symmetry_Int_Tables_number   1
_cell_volume   992.958
_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  0.396  0.840  0.939  1.0
  Zr  Zr1  1  0.396  0.340  0.561  1.0
  Zr  Zr2  1  0.660  0.983  0.263  1.0
  Zr  Zr3  1  0.014  0.930  0.294  1.0
  Zr  Zr4  1  0.647  0.828  0.723  1.0
  Zr  Zr5  1  0.011  0.711  0.079  1.0
  Zr  Zr6  1  0.635  0.635  0.941  1.0
  Zr  Zr7  1  0.202  0.055  0.001  1.0
  Zr  Zr8  1  0.660  0.483  0.237  1.0
  Zr  Zr9  1  0.014  0.430  0.206  1.0
  Zr  Zr10  1  0.647  0.328  0.777  1.0
  Zr  Zr11  1  0.011  0.211  0.421  1.0
  Zr  Zr12  1  0.635  0.135  0.559  1.0
  Zr  Zr13  1  0.202  0.555  0.499  1.0
  Zr  Zr14  1  0.798  0.445  0.501  1.0
  Zr  Zr15  1  0.365  0.865  0.441  1.0
  Zr  Zr16  1  0.989  0.789  0.579  1.0
  Zr  Zr17  1  0.353  0.672  0.223  1.0
  Zr  Zr18  1  0.986  0.570  0.794  1.0
  Zr  Zr19  1  0.340  0.517  0.763  1.0
  Zr  Zr20  1  0.798  0.945  0.999  1.0
  Zr  Zr21  1  0.365  0.365  0.059  1.0
  Zr  Zr22  1  0.989  0.289  0.921  1.0
  Zr  Zr23  1  0.353  0.172  0.277  1.0
  Zr  Zr24  1  0.986  0.070  0.706  1.0
  Zr  Zr25  1  0.340  0.017  0.737  1.0
  Zr  Zr26  1  0.604  0.660  0.439  1.0
  Zr  Zr27  1  0.604  0.160  0.061  1.0
  Sb  Sb28  1  0.286  0.751  0.683  1.0
  Sb  Sb29  1  0.286  0.251  0.817  1.0
  Sb  Sb30  1  0.012  0.661  0.346  1.0
  Sb  Sb31  1  0.774  0.938  0.493  1.0
  Sb  Sb32  1  0.679  0.578  0.676  1.0
  Sb  Sb33  1  0.012  0.161  0.154  1.0
  Sb  Sb34  1  0.774  0.438  0.007  1.0
  Sb  Sb35  1  0.321  0.922  0.176  1.0
  Sb  Sb36  1  0.679  0.078  0.824  1.0
  Sb  Sb37  1  0.226  0.562  0.993  1.0
  Sb  Sb38  1  0.321  0.422  0.324  1.0
  Sb  Sb39  1  0.226  0.062  0.507  1.0
  Sb  Sb40  1  0.714  0.749  0.183  1.0
  Sb  Sb41  1  0.714  0.249  0.317  1.0
  Sb  Sb42  1  0.988  0.839  0.846  1.0
  Sb  Sb43  1  0.988  0.339  0.654  1.0
[/CIF]
.
The structure described by Zr7Sb4 crystallizes in the monoclinic P2_1/c space group. There are seven inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and two equivalent Sb(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), and two equivalent Sb(1) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and two equivalent Sb(4) atoms. In the fifth Zr site, Zr(5) is bonded to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms to form a mixture of distorted corner and edge-sharing ZrSb6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the sixth Zr site, Zr(6) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. In the seventh Zr site, Zr(7) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(4), and two equivalent Sb(2) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Zr(2), one Zr(3), one Zr(5), one Zr(6), one Zr(7), two equivalent Zr(1), and two equivalent Zr(4) atoms. In the second Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(3), one Zr(4), one Zr(5), one Zr(6), one Zr(7), and two equivalent Zr(2) atoms. In the third Sb site, Sb(2) is bonded in a 10-coordinate geometry to one Zr(1), one Zr(2), one Zr(4), one Zr(6), two equivalent Zr(3), two equivalent Zr(5), and two equivalent Zr(7) atoms. In the fourth Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(2), one Zr(4), two equivalent Zr(3), two equivalent Zr(5), and two equivalent Zr(6) atoms. is represented by the CIF card [CIF]
data_Zr7Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.529
_cell_length_b   11.164
_cell_length_c   11.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.774
_symmetry_Int_Tables_number   1
_cell_volume   992.958
_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  0.396  0.840  0.939  1.0
  Zr  Zr1  1  0.396  0.340  0.561  1.0
  Zr  Zr2  1  0.660  0.983  0.263  1.0
  Zr  Zr3  1  0.014  0.930  0.294  1.0
  Zr  Zr4  1  0.647  0.828  0.723  1.0
  Zr  Zr5  1  0.011  0.711  0.079  1.0
  Zr  Zr6  1  0.635  0.635  0.941  1.0
  Zr  Zr7  1  0.202  0.055  0.001  1.0
  Zr  Zr8  1  0.660  0.483  0.237  1.0
  Zr  Zr9  1  0.014  0.430  0.206  1.0
  Zr  Zr10  1  0.647  0.328  0.777  1.0
  Zr  Zr11  1  0.011  0.211  0.421  1.0
  Zr  Zr12  1  0.635  0.135  0.559  1.0
  Zr  Zr13  1  0.202  0.555  0.499  1.0
  Zr  Zr14  1  0.798  0.445  0.501  1.0
  Zr  Zr15  1  0.365  0.865  0.441  1.0
  Zr  Zr16  1  0.989  0.789  0.579  1.0
  Zr  Zr17  1  0.353  0.672  0.223  1.0
  Zr  Zr18  1  0.986  0.570  0.794  1.0
  Zr  Zr19  1  0.340  0.517  0.763  1.0
  Zr  Zr20  1  0.798  0.945  0.999  1.0
  Zr  Zr21  1  0.365  0.365  0.059  1.0
  Zr  Zr22  1  0.989  0.289  0.921  1.0
  Zr  Zr23  1  0.353  0.172  0.277  1.0
  Zr  Zr24  1  0.986  0.070  0.706  1.0
  Zr  Zr25  1  0.340  0.017  0.737  1.0
  Zr  Zr26  1  0.604  0.660  0.439  1.0
  Zr  Zr27  1  0.604  0.160  0.061  1.0
  Sb  Sb28  1  0.286  0.751  0.683  1.0
  Sb  Sb29  1  0.286  0.251  0.817  1.0
  Sb  Sb30  1  0.012  0.661  0.346  1.0
  Sb  Sb31  1  0.774  0.938  0.493  1.0
  Sb  Sb32  1  0.679  0.578  0.676  1.0
  Sb  Sb33  1  0.012  0.161  0.154  1.0
  Sb  Sb34  1  0.774  0.438  0.007  1.0
  Sb  Sb35  1  0.321  0.922  0.176  1.0
  Sb  Sb36  1  0.679  0.078  0.824  1.0
  Sb  Sb37  1  0.226  0.562  0.993  1.0
  Sb  Sb38  1  0.321  0.422  0.324  1.0
  Sb  Sb39  1  0.226  0.062  0.507  1.0
  Sb  Sb40  1  0.714  0.749  0.183  1.0
  Sb  Sb41  1  0.714  0.249  0.317  1.0
  Sb  Sb42  1  0.988  0.839  0.846  1.0
  Sb  Sb43  1  0.988  0.339  0.654  1.0
[/CIF]
.