The material structure described by Zr8As5 crystallizes in the orthorhombic Pmc2_1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one As(7), two equivalent As(1), and two equivalent As(4) atoms. In the second Zr site, Zr(2) is bonded to one As(8), two equivalent As(2), and two equivalent As(3) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the third Zr site, Zr(3) is bonded to one As(7), two equivalent As(1), and two equivalent As(10) atoms to form a mixture of distorted corner and edge-sharing ZrAs5 square pyramids. In the fourth Zr site, Zr(4) is bonded to one As(8), two equivalent As(2), and two equivalent As(9) atoms to form a mixture of corner, face, and edge-sharing ZrAs5 square pyramids. In the fifth Zr site, Zr(5) is bonded to one As(5), one As(6), one As(7), and two equivalent As(9) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the sixth Zr site, Zr(6) is bonded to one As(5), one As(6), one As(8), and two equivalent As(10) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the seventh Zr site, Zr(7) is bonded to one As(5), two equivalent As(3), and two equivalent As(9) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the eighth Zr site, Zr(8) is bonded to one As(6), two equivalent As(10), and two equivalent As(4) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the ninth Zr site, Zr(9) is bonded in a 5-coordinate geometry to one As(3), two equivalent As(5), and two equivalent As(8) atoms. In the tenth Zr site, Zr(10) is bonded in a 5-coordinate geometry to one As(4), two equivalent As(6), and two equivalent As(7) atoms. In the eleventh Zr site, Zr(11) is bonded in a distorted square co-planar geometry to one As(1), one As(2), one As(3), and one As(4) atom. In the twelfth Zr site, Zr(12) is bonded in a distorted square co-planar geometry to two equivalent As(1) and two equivalent As(3) atoms. In the thirteenth Zr site, Zr(13) is bonded in a distorted rectangular see-saw-like geometry to two equivalent As(2) and two equivalent As(4) atoms. In the fourteenth Zr site, Zr(14) is bonded in a 5-coordinate geometry to one As(10), two equivalent As(5), and two equivalent As(7) atoms. In the fifteenth Zr site, Zr(15) is bonded to one As(9), two equivalent As(6), and two equivalent As(8) atoms to form a mixture of distorted corner and edge-sharing ZrAs5 trigonal bipyramids. In the sixteenth Zr site, Zr(16) is bonded in a distorted T-shaped geometry to one As(1), one As(10), and one As(4) atom. There are ten inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Zr(11), one Zr(16), two equivalent Zr(1), two equivalent Zr(12), and two equivalent Zr(3) atoms. In the second As site, As(2) is bonded to one Zr(11), two equivalent Zr(13), two equivalent Zr(2), and two equivalent Zr(4) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Zr(11), one Zr(9), two equivalent Zr(12), two equivalent Zr(2), and two equivalent Zr(7) atoms. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to one Zr(10), one Zr(11), one Zr(16), two equivalent Zr(1), two equivalent Zr(13), and two equivalent Zr(8) atoms. In the fifth As site, As(5) is bonded to one Zr(5), one Zr(6), one Zr(7), two equivalent Zr(14), and two equivalent Zr(9) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the sixth As site, As(6) is bonded to one Zr(5), one Zr(6), one Zr(8), two equivalent Zr(10), and two equivalent Zr(15) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the seventh As site, As(7) is bonded to one Zr(1), one Zr(3), one Zr(5), two equivalent Zr(10), and two equivalent Zr(14) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the eighth As site, As(8) is bonded to one Zr(2), one Zr(4), one Zr(6), two equivalent Zr(15), and two equivalent Zr(9) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the ninth As site, As(9) is bonded to one Zr(15), two equivalent Zr(4), two equivalent Zr(5), and two equivalent Zr(7) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the tenth As site, As(10) is bonded in a 8-coordinate geometry to one Zr(14), one Zr(16), two equivalent Zr(3), two equivalent Zr(6), and two equivalent Zr(8) atoms. is represented by the CIF card [CIF]
data_Zr8As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   10.213
_cell_length_c   28.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1098.573
_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  0.258  0.418  1.0
  Zr  Zr1  1  0.500  0.241  0.583  1.0
  Zr  Zr2  1  0.500  0.742  0.918  1.0
  Zr  Zr3  1  0.500  0.759  0.083  1.0
  Zr  Zr4  1  0.500  0.574  0.381  1.0
  Zr  Zr5  1  0.500  0.924  0.619  1.0
  Zr  Zr6  1  0.500  0.426  0.881  1.0
  Zr  Zr7  1  0.500  0.076  0.119  1.0
  Zr  Zr8  1  0.500  0.255  0.236  1.0
  Zr  Zr9  1  0.500  0.245  0.765  1.0
  Zr  Zr10  1  0.500  0.745  0.736  1.0
  Zr  Zr11  1  0.500  0.755  0.265  1.0
  Zr  Zr12  1  0.500  0.411  0.126  1.0
  Zr  Zr13  1  0.500  0.085  0.874  1.0
  Zr  Zr14  1  0.500  0.589  0.626  1.0
  Zr  Zr15  1  0.500  0.915  0.374  1.0
  Zr  Zr16  1  0.000  0.663  0.171  1.0
  Zr  Zr17  1  0.000  0.839  0.830  1.0
  Zr  Zr18  1  0.000  0.337  0.671  1.0
  Zr  Zr19  1  0.000  0.161  0.330  1.0
  Zr  Zr20  1  0.000  0.251  0.501  1.0
  Zr  Zr21  1  0.000  0.749  0.001  1.0
  Zr  Zr22  1  0.500  0.476  0.008  1.0
  Zr  Zr23  1  0.500  0.020  0.993  1.0
  Zr  Zr24  1  0.500  0.524  0.508  1.0
  Zr  Zr25  1  0.500  0.980  0.493  1.0
  Zr  Zr26  1  0.000  0.502  0.283  1.0
  Zr  Zr27  1  0.000  0.997  0.717  1.0
  Zr  Zr28  1  0.000  0.498  0.783  1.0
  Zr  Zr29  1  0.000  0.003  0.217  1.0
  Zr  Zr30  1  0.000  0.754  0.444  1.0
  Zr  Zr31  1  0.000  0.246  0.944  1.0
  As  As32  1  0.000  0.464  0.440  1.0
  As  As33  1  0.000  0.038  0.562  1.0
  As  As34  1  0.000  0.536  0.940  1.0
  As  As35  1  0.000  0.962  0.062  1.0
  As  As36  1  0.000  0.558  0.077  1.0
  As  As37  1  0.000  0.946  0.925  1.0
  As  As38  1  0.000  0.442  0.577  1.0
  As  As39  1  0.000  0.054  0.425  1.0
  As  As40  1  0.500  0.513  0.214  1.0
  As  As41  1  0.500  0.986  0.785  1.0
  As  As42  1  0.500  0.487  0.714  1.0
  As  As43  1  0.500  0.014  0.285  1.0
  As  As44  1  0.500  0.354  0.329  1.0
  As  As45  1  0.500  0.143  0.671  1.0
  As  As46  1  0.500  0.646  0.829  1.0
  As  As47  1  0.500  0.857  0.171  1.0
  As  As48  1  0.000  0.232  0.163  1.0
  As  As49  1  0.000  0.268  0.839  1.0
  As  As50  1  0.000  0.768  0.663  1.0
  As  As51  1  0.000  0.732  0.339  1.0
[/CIF]
.
The material structure described by Zr8As5 crystallizes in the orthorhombic Pmc2_1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one As(7), two equivalent As(1), and two equivalent As(4) atoms. In the second Zr site, Zr(2) is bonded to one As(8), two equivalent As(2), and two equivalent As(3) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the third Zr site, Zr(3) is bonded to one As(7), two equivalent As(1), and two equivalent As(10) atoms to form a mixture of distorted corner and edge-sharing ZrAs5 square pyramids. In the fourth Zr site, Zr(4) is bonded to one As(8), two equivalent As(2), and two equivalent As(9) atoms to form a mixture of corner, face, and edge-sharing ZrAs5 square pyramids. In the fifth Zr site, Zr(5) is bonded to one As(5), one As(6), one As(7), and two equivalent As(9) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the sixth Zr site, Zr(6) is bonded to one As(5), one As(6), one As(8), and two equivalent As(10) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the seventh Zr site, Zr(7) is bonded to one As(5), two equivalent As(3), and two equivalent As(9) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the eighth Zr site, Zr(8) is bonded to one As(6), two equivalent As(10), and two equivalent As(4) atoms to form a mixture of distorted corner, face, and edge-sharing ZrAs5 trigonal bipyramids. In the ninth Zr site, Zr(9) is bonded in a 5-coordinate geometry to one As(3), two equivalent As(5), and two equivalent As(8) atoms. In the tenth Zr site, Zr(10) is bonded in a 5-coordinate geometry to one As(4), two equivalent As(6), and two equivalent As(7) atoms. In the eleventh Zr site, Zr(11) is bonded in a distorted square co-planar geometry to one As(1), one As(2), one As(3), and one As(4) atom. In the twelfth Zr site, Zr(12) is bonded in a distorted square co-planar geometry to two equivalent As(1) and two equivalent As(3) atoms. In the thirteenth Zr site, Zr(13) is bonded in a distorted rectangular see-saw-like geometry to two equivalent As(2) and two equivalent As(4) atoms. In the fourteenth Zr site, Zr(14) is bonded in a 5-coordinate geometry to one As(10), two equivalent As(5), and two equivalent As(7) atoms. In the fifteenth Zr site, Zr(15) is bonded to one As(9), two equivalent As(6), and two equivalent As(8) atoms to form a mixture of distorted corner and edge-sharing ZrAs5 trigonal bipyramids. In the sixteenth Zr site, Zr(16) is bonded in a distorted T-shaped geometry to one As(1), one As(10), and one As(4) atom. There are ten inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Zr(11), one Zr(16), two equivalent Zr(1), two equivalent Zr(12), and two equivalent Zr(3) atoms. In the second As site, As(2) is bonded to one Zr(11), two equivalent Zr(13), two equivalent Zr(2), and two equivalent Zr(4) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Zr(11), one Zr(9), two equivalent Zr(12), two equivalent Zr(2), and two equivalent Zr(7) atoms. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to one Zr(10), one Zr(11), one Zr(16), two equivalent Zr(1), two equivalent Zr(13), and two equivalent Zr(8) atoms. In the fifth As site, As(5) is bonded to one Zr(5), one Zr(6), one Zr(7), two equivalent Zr(14), and two equivalent Zr(9) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the sixth As site, As(6) is bonded to one Zr(5), one Zr(6), one Zr(8), two equivalent Zr(10), and two equivalent Zr(15) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the seventh As site, As(7) is bonded to one Zr(1), one Zr(3), one Zr(5), two equivalent Zr(10), and two equivalent Zr(14) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the eighth As site, As(8) is bonded to one Zr(2), one Zr(4), one Zr(6), two equivalent Zr(15), and two equivalent Zr(9) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the ninth As site, As(9) is bonded to one Zr(15), two equivalent Zr(4), two equivalent Zr(5), and two equivalent Zr(7) atoms to form a mixture of distorted corner, face, and edge-sharing AsZr7 pentagonal bipyramids. In the tenth As site, As(10) is bonded in a 8-coordinate geometry to one Zr(14), one Zr(16), two equivalent Zr(3), two equivalent Zr(6), and two equivalent Zr(8) atoms. is represented by the CIF card [CIF]
data_Zr8As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   10.213
_cell_length_c   28.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1098.573
_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  0.258  0.418  1.0
  Zr  Zr1  1  0.500  0.241  0.583  1.0
  Zr  Zr2  1  0.500  0.742  0.918  1.0
  Zr  Zr3  1  0.500  0.759  0.083  1.0
  Zr  Zr4  1  0.500  0.574  0.381  1.0
  Zr  Zr5  1  0.500  0.924  0.619  1.0
  Zr  Zr6  1  0.500  0.426  0.881  1.0
  Zr  Zr7  1  0.500  0.076  0.119  1.0
  Zr  Zr8  1  0.500  0.255  0.236  1.0
  Zr  Zr9  1  0.500  0.245  0.765  1.0
  Zr  Zr10  1  0.500  0.745  0.736  1.0
  Zr  Zr11  1  0.500  0.755  0.265  1.0
  Zr  Zr12  1  0.500  0.411  0.126  1.0
  Zr  Zr13  1  0.500  0.085  0.874  1.0
  Zr  Zr14  1  0.500  0.589  0.626  1.0
  Zr  Zr15  1  0.500  0.915  0.374  1.0
  Zr  Zr16  1  0.000  0.663  0.171  1.0
  Zr  Zr17  1  0.000  0.839  0.830  1.0
  Zr  Zr18  1  0.000  0.337  0.671  1.0
  Zr  Zr19  1  0.000  0.161  0.330  1.0
  Zr  Zr20  1  0.000  0.251  0.501  1.0
  Zr  Zr21  1  0.000  0.749  0.001  1.0
  Zr  Zr22  1  0.500  0.476  0.008  1.0
  Zr  Zr23  1  0.500  0.020  0.993  1.0
  Zr  Zr24  1  0.500  0.524  0.508  1.0
  Zr  Zr25  1  0.500  0.980  0.493  1.0
  Zr  Zr26  1  0.000  0.502  0.283  1.0
  Zr  Zr27  1  0.000  0.997  0.717  1.0
  Zr  Zr28  1  0.000  0.498  0.783  1.0
  Zr  Zr29  1  0.000  0.003  0.217  1.0
  Zr  Zr30  1  0.000  0.754  0.444  1.0
  Zr  Zr31  1  0.000  0.246  0.944  1.0
  As  As32  1  0.000  0.464  0.440  1.0
  As  As33  1  0.000  0.038  0.562  1.0
  As  As34  1  0.000  0.536  0.940  1.0
  As  As35  1  0.000  0.962  0.062  1.0
  As  As36  1  0.000  0.558  0.077  1.0
  As  As37  1  0.000  0.946  0.925  1.0
  As  As38  1  0.000  0.442  0.577  1.0
  As  As39  1  0.000  0.054  0.425  1.0
  As  As40  1  0.500  0.513  0.214  1.0
  As  As41  1  0.500  0.986  0.785  1.0
  As  As42  1  0.500  0.487  0.714  1.0
  As  As43  1  0.500  0.014  0.285  1.0
  As  As44  1  0.500  0.354  0.329  1.0
  As  As45  1  0.500  0.143  0.671  1.0
  As  As46  1  0.500  0.646  0.829  1.0
  As  As47  1  0.500  0.857  0.171  1.0
  As  As48  1  0.000  0.232  0.163  1.0
  As  As49  1  0.000  0.268  0.839  1.0
  As  As50  1  0.000  0.768  0.663  1.0
  As  As51  1  0.000  0.732  0.339  1.0
[/CIF]
.