The structure described by U2ZrS5 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Zr(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1) and two equivalent Zr(1) atoms to form distorted SZr2U2 trigonal pyramids that share corners with four equivalent S(3)ZrU4 square pyramids, corners with two equivalent S(2)ZrU4 trigonal bipyramids, corners with two equivalent S(4)ZrU4 trigonal bipyramids, corners with six equivalent S(1)Zr2U2 trigonal pyramids,  an edgeedge with one S(3)ZrU4 square pyramid, edges with two equivalent S(2)ZrU4 trigonal bipyramids, edges with two equivalent S(4)ZrU4 trigonal bipyramids, and  an edgeedge with one S(1)Zr2U2 trigonal pyramid. In the second S site, S(2) is bonded to four equivalent U(1) and one Zr(1) atom to form distorted SZrU4 trigonal bipyramids that share corners with five equivalent S(3)ZrU4 square pyramids,  a cornercorner with one S(4)ZrU4 trigonal bipyramid, corners with four equivalent S(2)ZrU4 trigonal bipyramids, corners with four equivalent S(1)Zr2U2 trigonal pyramids, edges with two equivalent S(3)ZrU4 square pyramids, edges with four equivalent S(4)ZrU4 trigonal bipyramids, and edges with four equivalent S(1)Zr2U2 trigonal pyramids. In the third S site, S(3) is bonded to four equivalent U(1) and one Zr(1) atom to form SZrU4 square pyramids that share corners with four equivalent S(4)ZrU4 trigonal bipyramids, corners with five equivalent S(2)ZrU4 trigonal bipyramids, corners with eight equivalent S(1)Zr2U2 trigonal pyramids, edges with two equivalent S(3)ZrU4 square pyramids,  an edgeedge with one S(4)ZrU4 trigonal bipyramid, edges with two equivalent S(2)ZrU4 trigonal bipyramids, edges with two equivalent S(1)Zr2U2 trigonal pyramids, and  a faceface with one S(4)ZrU4 trigonal bipyramid. In the fourth S site, S(4) is bonded to four equivalent U(1) and one Zr(1) atom to form distorted SZrU4 trigonal bipyramids that share corners with four equivalent S(3)ZrU4 square pyramids,  a cornercorner with one S(2)ZrU4 trigonal bipyramid, corners with four equivalent S(4)ZrU4 trigonal bipyramids, corners with four equivalent S(1)Zr2U2 trigonal pyramids,  an edgeedge with one S(3)ZrU4 square pyramid, edges with four equivalent S(2)ZrU4 trigonal bipyramids, edges with four equivalent S(1)Zr2U2 trigonal pyramids, and  a faceface with one S(3)ZrU4 square pyramid. is represented by the CIF card [CIF]
data_ZrU2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.839
_cell_length_c   11.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   675.988
_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  0.077  0.750  0.495  1.0
  Zr  Zr1  1  0.423  0.750  0.995  1.0
  Zr  Zr2  1  0.923  0.250  0.505  1.0
  Zr  Zr3  1  0.577  0.250  0.005  1.0
  U  U4  1  0.529  0.499  0.322  1.0
  U  U5  1  0.971  0.001  0.822  1.0
  U  U6  1  0.471  0.999  0.678  1.0
  U  U7  1  0.029  0.501  0.178  1.0
  U  U8  1  0.471  0.501  0.678  1.0
  U  U9  1  0.029  0.999  0.178  1.0
  U  U10  1  0.529  0.001  0.322  1.0
  U  U11  1  0.971  0.499  0.822  1.0
  S  S12  1  0.836  0.963  0.589  1.0
  S  S13  1  0.664  0.537  0.089  1.0
  S  S14  1  0.164  0.463  0.411  1.0
  S  S15  1  0.336  0.037  0.911  1.0
  S  S16  1  0.164  0.037  0.411  1.0
  S  S17  1  0.336  0.463  0.911  1.0
  S  S18  1  0.836  0.537  0.589  1.0
  S  S19  1  0.664  0.963  0.089  1.0
  S  S20  1  0.839  0.750  0.317  1.0
  S  S21  1  0.661  0.750  0.817  1.0
  S  S22  1  0.161  0.250  0.683  1.0
  S  S23  1  0.339  0.250  0.183  1.0
  S  S24  1  0.447  0.750  0.498  1.0
  S  S25  1  0.053  0.750  0.998  1.0
  S  S26  1  0.553  0.250  0.502  1.0
  S  S27  1  0.947  0.250  0.002  1.0
  S  S28  1  0.184  0.750  0.708  1.0
  S  S29  1  0.316  0.750  0.208  1.0
  S  S30  1  0.816  0.250  0.292  1.0
  S  S31  1  0.684  0.250  0.792  1.0
[/CIF]
.
The structure described by U2ZrS5 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Zr(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1) and two equivalent Zr(1) atoms to form distorted SZr2U2 trigonal pyramids that share corners with four equivalent S(3)ZrU4 square pyramids, corners with two equivalent S(2)ZrU4 trigonal bipyramids, corners with two equivalent S(4)ZrU4 trigonal bipyramids, corners with six equivalent S(1)Zr2U2 trigonal pyramids,  an edgeedge with one S(3)ZrU4 square pyramid, edges with two equivalent S(2)ZrU4 trigonal bipyramids, edges with two equivalent S(4)ZrU4 trigonal bipyramids, and  an edgeedge with one S(1)Zr2U2 trigonal pyramid. In the second S site, S(2) is bonded to four equivalent U(1) and one Zr(1) atom to form distorted SZrU4 trigonal bipyramids that share corners with five equivalent S(3)ZrU4 square pyramids,  a cornercorner with one S(4)ZrU4 trigonal bipyramid, corners with four equivalent S(2)ZrU4 trigonal bipyramids, corners with four equivalent S(1)Zr2U2 trigonal pyramids, edges with two equivalent S(3)ZrU4 square pyramids, edges with four equivalent S(4)ZrU4 trigonal bipyramids, and edges with four equivalent S(1)Zr2U2 trigonal pyramids. In the third S site, S(3) is bonded to four equivalent U(1) and one Zr(1) atom to form SZrU4 square pyramids that share corners with four equivalent S(4)ZrU4 trigonal bipyramids, corners with five equivalent S(2)ZrU4 trigonal bipyramids, corners with eight equivalent S(1)Zr2U2 trigonal pyramids, edges with two equivalent S(3)ZrU4 square pyramids,  an edgeedge with one S(4)ZrU4 trigonal bipyramid, edges with two equivalent S(2)ZrU4 trigonal bipyramids, edges with two equivalent S(1)Zr2U2 trigonal pyramids, and  a faceface with one S(4)ZrU4 trigonal bipyramid. In the fourth S site, S(4) is bonded to four equivalent U(1) and one Zr(1) atom to form distorted SZrU4 trigonal bipyramids that share corners with four equivalent S(3)ZrU4 square pyramids,  a cornercorner with one S(2)ZrU4 trigonal bipyramid, corners with four equivalent S(4)ZrU4 trigonal bipyramids, corners with four equivalent S(1)Zr2U2 trigonal pyramids,  an edgeedge with one S(3)ZrU4 square pyramid, edges with four equivalent S(2)ZrU4 trigonal bipyramids, edges with four equivalent S(1)Zr2U2 trigonal pyramids, and  a faceface with one S(3)ZrU4 square pyramid. is represented by the CIF card [CIF]
data_ZrU2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.839
_cell_length_c   11.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   675.988
_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  0.077  0.750  0.495  1.0
  Zr  Zr1  1  0.423  0.750  0.995  1.0
  Zr  Zr2  1  0.923  0.250  0.505  1.0
  Zr  Zr3  1  0.577  0.250  0.005  1.0
  U  U4  1  0.529  0.499  0.322  1.0
  U  U5  1  0.971  0.001  0.822  1.0
  U  U6  1  0.471  0.999  0.678  1.0
  U  U7  1  0.029  0.501  0.178  1.0
  U  U8  1  0.471  0.501  0.678  1.0
  U  U9  1  0.029  0.999  0.178  1.0
  U  U10  1  0.529  0.001  0.322  1.0
  U  U11  1  0.971  0.499  0.822  1.0
  S  S12  1  0.836  0.963  0.589  1.0
  S  S13  1  0.664  0.537  0.089  1.0
  S  S14  1  0.164  0.463  0.411  1.0
  S  S15  1  0.336  0.037  0.911  1.0
  S  S16  1  0.164  0.037  0.411  1.0
  S  S17  1  0.336  0.463  0.911  1.0
  S  S18  1  0.836  0.537  0.589  1.0
  S  S19  1  0.664  0.963  0.089  1.0
  S  S20  1  0.839  0.750  0.317  1.0
  S  S21  1  0.661  0.750  0.817  1.0
  S  S22  1  0.161  0.250  0.683  1.0
  S  S23  1  0.339  0.250  0.183  1.0
  S  S24  1  0.447  0.750  0.498  1.0
  S  S25  1  0.053  0.750  0.998  1.0
  S  S26  1  0.553  0.250  0.502  1.0
  S  S27  1  0.947  0.250  0.002  1.0
  S  S28  1  0.184  0.750  0.708  1.0
  S  S29  1  0.316  0.750  0.208  1.0
  S  S30  1  0.816  0.250  0.292  1.0
  S  S31  1  0.684  0.250  0.792  1.0
[/CIF]
.