BaPSe3 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. P(1) is bonded in a distorted tetrahedral geometry to one P(1), one Se(1), one Se(2), and one Se(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a distorted see-saw-like geometry to three equivalent Ba(1) and one P(1) atom. In the third Se site, Se(3) is bonded in a distorted see-saw-like geometry to three equivalent Ba(1) and one P(1) atom.
BaPSe3 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. There are a spread of Ba(1)-Se(1) bond distances ranging from 3.41-3.80 Å. There are a spread of Ba(1)-Se(2) bond distances ranging from 3.45-3.49 Å. There are a spread of Ba(1)-Se(3) bond distances ranging from 3.37-3.48 Å. P(1) is bonded in a distorted tetrahedral geometry to one P(1), one Se(1), one Se(2), and one Se(3) atom. The P(1)-P(1) bond length is 2.25 Å. The P(1)-Se(1) bond length is 2.18 Å. The P(1)-Se(2) bond length is 2.19 Å. The P(1)-Se(3) bond length is 2.19 Å. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a distorted see-saw-like geometry to three equivalent Ba(1) and one P(1) atom. In the third Se site, Se(3) is bonded in a distorted see-saw-like geometry to three equivalent Ba(1) and one P(1) atom.