Cs3BP2 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 5-coordinate geometry to one B(1) and four equivalent P(1) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent P(1) atoms. B(1) is bonded in a distorted linear geometry to one Cs(1), four equivalent Cs(2), and two equivalent P(1) atoms. P(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), five equivalent Cs(2), and one B(1) atom.
Cs3BP2 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 5-coordinate geometry to one B(1) and four equivalent P(1) atoms. The Cs(1)-B(1) bond length is 3.61 Å. All Cs(1)-P(1) bond lengths are 3.77 Å. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent P(1) atoms. There is one shorter (3.39 Å) and one longer (3.59 Å) Cs(2)-B(1) bond length. There are a spread of Cs(2)-P(1) bond distances ranging from 3.60-3.91 Å. B(1) is bonded in a distorted linear geometry to one Cs(1), four equivalent Cs(2), and two equivalent P(1) atoms. Both B(1)-P(1) bond lengths are 1.77 Å. P(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), five equivalent Cs(2), and one B(1) atom.