TaP4S6Cl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two TaP4S6Cl5 clusters. Ta(1) is bonded to one S(5), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form distorted TaSCl5 octahedra that share  a cornercorner with one P(1)S4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Ta(1)SCl5 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second P site, P(2) is bonded in a distorted water-like geometry to one P(3), one S(2), and one S(4) atom. In the third P site, P(3) is bonded in a distorted water-like geometry to one P(2), one S(3), and one S(6) atom. In the fourth P site, P(4) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the third S site, S(3) is bonded in a water-like geometry to one P(1) and one P(3) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one P(1) and one P(2) atom. In the fifth S site, S(5) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one P(3) and one P(4) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Ta(1) atom.
TaP4S6Cl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two TaP4S6Cl5 clusters. Ta(1) is bonded to one S(5), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form distorted TaSCl5 octahedra that share  a cornercorner with one P(1)S4 tetrahedra. The Ta(1)-S(5) bond length is 2.81 Å. The Ta(1)-Cl(1) bond length is 2.32 Å. The Ta(1)-Cl(2) bond length is 2.29 Å. The Ta(1)-Cl(3) bond length is 2.35 Å. The Ta(1)-Cl(4) bond length is 2.36 Å. The Ta(1)-Cl(5) bond length is 2.34 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Ta(1)SCl5 octahedra. The corner-sharing octahedral tilt angles are 64°. The P(1)-S(1) bond length is 2.09 Å. The P(1)-S(3) bond length is 2.10 Å. The P(1)-S(4) bond length is 2.10 Å. The P(1)-S(5) bond length is 1.98 Å. In the second P site, P(2) is bonded in a distorted water-like geometry to one P(3), one S(2), and one S(4) atom. The P(2)-P(3) bond length is 2.34 Å. The P(2)-S(2) bond length is 2.12 Å. The P(2)-S(4) bond length is 2.14 Å. In the third P site, P(3) is bonded in a distorted water-like geometry to one P(2), one S(3), and one S(6) atom. The P(3)-S(3) bond length is 2.13 Å. The P(3)-S(6) bond length is 2.13 Å. In the fourth P site, P(4) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(6) atom. The P(4)-S(1) bond length is 2.18 Å. The P(4)-S(2) bond length is 2.11 Å. The P(4)-S(6) bond length is 2.12 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the third S site, S(3) is bonded in a water-like geometry to one P(1) and one P(3) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one P(1) and one P(2) atom. In the fifth S site, S(5) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one P(3) and one P(4) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Ta(1) atom.