P4S7 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4S7 clusters. There are four inequivalent P sites. In the first P site, P(1) is bonded in a distorted water-like geometry to one P(2), one S(4), and one S(7) atom. In the second P site, P(2) is bonded in a distorted water-like geometry to one P(1), one S(5), and one S(6) atom. In the third P site, P(3) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing PS4 tetrahedra. In the fourth P site, P(4) is bonded to one S(1), one S(3), one S(6), and one S(7) atom to form corner-sharing PS4 tetrahedra. There are seven inequivalent S sites. In the first S site, S(5) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the second S site, S(6) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the third S site, S(7) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the fourth S site, S(1) is bonded in a water-like geometry to one P(3) and one P(4) atom. In the fifth S site, S(2) is bonded in a single-bond geometry to one P(3) atom. In the sixth S site, S(3) is bonded in a single-bond geometry to one P(4) atom. In the seventh S site, S(4) is bonded in a water-like geometry to one P(1) and one P(3) atom.
P4S7 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4S7 clusters. There are four inequivalent P sites. In the first P site, P(1) is bonded in a distorted water-like geometry to one P(2), one S(4), and one S(7) atom. The P(1)-P(2) bond length is 2.36 Å. The P(1)-S(4) bond length is 2.11 Å. The P(1)-S(7) bond length is 2.11 Å. In the second P site, P(2) is bonded in a distorted water-like geometry to one P(1), one S(5), and one S(6) atom. The P(2)-S(5) bond length is 2.11 Å. The P(2)-S(6) bond length is 2.11 Å. In the third P site, P(3) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing PS4 tetrahedra. The P(3)-S(1) bond length is 2.12 Å. The P(3)-S(2) bond length is 1.92 Å. The P(3)-S(4) bond length is 2.09 Å. The P(3)-S(5) bond length is 2.09 Å. In the fourth P site, P(4) is bonded to one S(1), one S(3), one S(6), and one S(7) atom to form corner-sharing PS4 tetrahedra. The P(4)-S(1) bond length is 2.11 Å. The P(4)-S(3) bond length is 1.92 Å. The P(4)-S(6) bond length is 2.09 Å. The P(4)-S(7) bond length is 2.09 Å. There are seven inequivalent S sites. In the first S site, S(5) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the second S site, S(6) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the third S site, S(7) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the fourth S site, S(1) is bonded in a water-like geometry to one P(3) and one P(4) atom. In the fifth S site, S(2) is bonded in a single-bond geometry to one P(3) atom. In the sixth S site, S(3) is bonded in a single-bond geometry to one P(4) atom. In the seventh S site, S(4) is bonded in a water-like geometry to one P(1) and one P(3) atom.