TlSnPS4 crystallizes in the orthorhombic Pna2_1 space group. Tl(1) is bonded in a single-bond geometry to one S(4) atom. Sn(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one Sn(1) and one P(1) atom. In the second S site, S(2) is bonded in a distorted L-shaped geometry to one Sn(1) and one P(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Tl(1) and one P(1) atom.
TlSnPS4 crystallizes in the orthorhombic Pna2_1 space group. Tl(1) is bonded in a single-bond geometry to one S(4) atom. The Tl(1)-S(4) bond length is 3.09 Å. Sn(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. The Sn(1)-S(1) bond length is 2.72 Å. The Sn(1)-S(2) bond length is 2.94 Å. There is one shorter (2.87 Å) and one longer (3.01 Å) Sn(1)-S(3) bond length. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. The P(1)-S(1) bond length is 2.07 Å. The P(1)-S(2) bond length is 2.06 Å. The P(1)-S(3) bond length is 2.07 Å. The P(1)-S(4) bond length is 2.04 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one Sn(1) and one P(1) atom. In the second S site, S(2) is bonded in a distorted L-shaped geometry to one Sn(1) and one P(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Tl(1) and one P(1) atom.