The compound described by Cs4Zr3S14 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one S(1), one S(2), one S(4), two equivalent S(6), two equivalent S(7), and three equivalent S(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one S(1), one S(5), one S(6), one S(7), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one S(1), one S(2), one S(3), one S(5), one S(7), and two equivalent S(6) atoms to form distorted ZrS7 pentagonal bipyramids that share  a cornercorner with one S(3)Cs2Zr2S trigonal bipyramid,  an edgeedge with one Zr(1)S7 pentagonal bipyramid, and  a faceface with one Zr(2)S8 hexagonal bipyramid. In the second Zr site, Zr(2) is bonded to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form distorted face-sharing ZrS8 hexagonal bipyramids. There are seven inequivalent S sites. In the first S site, S(5) is bonded in a 6-coordinate geometry to one Cs(2), three equivalent Cs(1), one Zr(1), and one S(2) atom. In the second S site, S(6) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), and two equivalent Zr(1) atoms. In the third S site, S(7) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Zr(1), and one S(3) atom. In the fourth S site, S(1) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Zr(1), one Zr(2), and one S(4) atom. In the fifth S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one Zr(1), one Zr(2), and one S(5) atom. In the sixth S site, S(3) is bonded to two equivalent Cs(2), one Zr(1), one Zr(2), and one S(7) atom to form distorted SCs2Zr2S trigonal bipyramids that share  a cornercorner with one Zr(1)S7 pentagonal bipyramid,  a cornercorner with one S(3)Cs2Zr2S trigonal bipyramid, and  an edgeedge with one S(3)Cs2Zr2S trigonal bipyramid. In the seventh S site, S(4) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Zr(2), and one S(1) atom. is represented by the CIF card [CIF]
data_Cs4Zr3S14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.928
_cell_length_b   11.928
_cell_length_c   14.141
_cell_angle_alpha   69.134
_cell_angle_beta   69.134
_cell_angle_gamma   42.239
_symmetry_Int_Tables_number   1
_cell_volume   1249.984
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.479  0.112  0.610  1.0
  Cs  Cs1  1  0.177  0.699  0.643  1.0
  Cs  Cs2  1  0.888  0.521  0.890  1.0
  Cs  Cs3  1  0.301  0.823  0.857  1.0
  Cs  Cs4  1  0.521  0.888  0.390  1.0
  Cs  Cs5  1  0.823  0.301  0.357  1.0
  Cs  Cs6  1  0.112  0.479  0.110  1.0
  Cs  Cs7  1  0.699  0.177  0.143  1.0
  Zr  Zr8  1  0.581  0.084  0.914  1.0
  Zr  Zr9  1  0.263  0.737  0.250  1.0
  Zr  Zr10  1  0.084  0.581  0.414  1.0
  Zr  Zr11  1  0.916  0.419  0.586  1.0
  Zr  Zr12  1  0.419  0.916  0.086  1.0
  Zr  Zr13  1  0.737  0.263  0.750  1.0
  S  S14  1  0.737  0.071  0.709  1.0
  S  S15  1  0.566  0.605  0.131  1.0
  S  S16  1  0.013  0.848  0.413  1.0
  S  S17  1  0.299  0.616  0.112  1.0
  S  S18  1  0.848  0.013  0.913  1.0
  S  S19  1  0.434  0.395  0.869  1.0
  S  S20  1  0.651  0.685  0.664  1.0
  S  S21  1  0.315  0.349  0.836  1.0
  S  S22  1  0.504  0.937  0.901  1.0
  S  S23  1  0.605  0.566  0.631  1.0
  S  S24  1  0.099  0.187  0.108  1.0
  S  S25  1  0.496  0.063  0.099  1.0
  S  S26  1  0.987  0.152  0.587  1.0
  S  S27  1  0.929  0.263  0.791  1.0
  S  S28  1  0.701  0.384  0.888  1.0
  S  S29  1  0.187  0.099  0.608  1.0
  S  S30  1  0.937  0.504  0.401  1.0
  S  S31  1  0.685  0.651  0.164  1.0
  S  S32  1  0.384  0.701  0.388  1.0
  S  S33  1  0.813  0.901  0.392  1.0
  S  S34  1  0.395  0.434  0.369  1.0
  S  S35  1  0.616  0.299  0.612  1.0
  S  S36  1  0.063  0.496  0.599  1.0
  S  S37  1  0.152  0.987  0.087  1.0
  S  S38  1  0.071  0.737  0.209  1.0
  S  S39  1  0.349  0.315  0.336  1.0
  S  S40  1  0.263  0.929  0.291  1.0
  S  S41  1  0.901  0.813  0.892  1.0
[/CIF]
.
The compound described by Cs4Zr3S14 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one S(1), one S(2), one S(4), two equivalent S(6), two equivalent S(7), and three equivalent S(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one S(1), one S(5), one S(6), one S(7), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one S(1), one S(2), one S(3), one S(5), one S(7), and two equivalent S(6) atoms to form distorted ZrS7 pentagonal bipyramids that share  a cornercorner with one S(3)Cs2Zr2S trigonal bipyramid,  an edgeedge with one Zr(1)S7 pentagonal bipyramid, and  a faceface with one Zr(2)S8 hexagonal bipyramid. In the second Zr site, Zr(2) is bonded to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form distorted face-sharing ZrS8 hexagonal bipyramids. There are seven inequivalent S sites. In the first S site, S(5) is bonded in a 6-coordinate geometry to one Cs(2), three equivalent Cs(1), one Zr(1), and one S(2) atom. In the second S site, S(6) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), and two equivalent Zr(1) atoms. In the third S site, S(7) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Zr(1), and one S(3) atom. In the fourth S site, S(1) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Zr(1), one Zr(2), and one S(4) atom. In the fifth S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one Zr(1), one Zr(2), and one S(5) atom. In the sixth S site, S(3) is bonded to two equivalent Cs(2), one Zr(1), one Zr(2), and one S(7) atom to form distorted SCs2Zr2S trigonal bipyramids that share  a cornercorner with one Zr(1)S7 pentagonal bipyramid,  a cornercorner with one S(3)Cs2Zr2S trigonal bipyramid, and  an edgeedge with one S(3)Cs2Zr2S trigonal bipyramid. In the seventh S site, S(4) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Zr(2), and one S(1) atom. is represented by the CIF card [CIF]
data_Cs4Zr3S14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.928
_cell_length_b   11.928
_cell_length_c   14.141
_cell_angle_alpha   69.134
_cell_angle_beta   69.134
_cell_angle_gamma   42.239
_symmetry_Int_Tables_number   1
_cell_volume   1249.984
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.479  0.112  0.610  1.0
  Cs  Cs1  1  0.177  0.699  0.643  1.0
  Cs  Cs2  1  0.888  0.521  0.890  1.0
  Cs  Cs3  1  0.301  0.823  0.857  1.0
  Cs  Cs4  1  0.521  0.888  0.390  1.0
  Cs  Cs5  1  0.823  0.301  0.357  1.0
  Cs  Cs6  1  0.112  0.479  0.110  1.0
  Cs  Cs7  1  0.699  0.177  0.143  1.0
  Zr  Zr8  1  0.581  0.084  0.914  1.0
  Zr  Zr9  1  0.263  0.737  0.250  1.0
  Zr  Zr10  1  0.084  0.581  0.414  1.0
  Zr  Zr11  1  0.916  0.419  0.586  1.0
  Zr  Zr12  1  0.419  0.916  0.086  1.0
  Zr  Zr13  1  0.737  0.263  0.750  1.0
  S  S14  1  0.737  0.071  0.709  1.0
  S  S15  1  0.566  0.605  0.131  1.0
  S  S16  1  0.013  0.848  0.413  1.0
  S  S17  1  0.299  0.616  0.112  1.0
  S  S18  1  0.848  0.013  0.913  1.0
  S  S19  1  0.434  0.395  0.869  1.0
  S  S20  1  0.651  0.685  0.664  1.0
  S  S21  1  0.315  0.349  0.836  1.0
  S  S22  1  0.504  0.937  0.901  1.0
  S  S23  1  0.605  0.566  0.631  1.0
  S  S24  1  0.099  0.187  0.108  1.0
  S  S25  1  0.496  0.063  0.099  1.0
  S  S26  1  0.987  0.152  0.587  1.0
  S  S27  1  0.929  0.263  0.791  1.0
  S  S28  1  0.701  0.384  0.888  1.0
  S  S29  1  0.187  0.099  0.608  1.0
  S  S30  1  0.937  0.504  0.401  1.0
  S  S31  1  0.685  0.651  0.164  1.0
  S  S32  1  0.384  0.701  0.388  1.0
  S  S33  1  0.813  0.901  0.392  1.0
  S  S34  1  0.395  0.434  0.369  1.0
  S  S35  1  0.616  0.299  0.612  1.0
  S  S36  1  0.063  0.496  0.599  1.0
  S  S37  1  0.152  0.987  0.087  1.0
  S  S38  1  0.071  0.737  0.209  1.0
  S  S39  1  0.349  0.315  0.336  1.0
  S  S40  1  0.263  0.929  0.291  1.0
  S  S41  1  0.901  0.813  0.892  1.0
[/CIF]
.