Cd2P3Br crystallizes in the monoclinic Cc space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one P(1), two equivalent P(2), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent Cd(2)P3Br2 trigonal bipyramids, corners with four equivalent Cd(1)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(2)P3Br2 trigonal bipyramid. In the second Cd site, Cd(2) is bonded to one P(1), two equivalent P(3), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent Cd(1)P3Br2 trigonal bipyramids, corners with four equivalent Cd(2)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(1)P3Br2 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Cd(1), one Cd(2), one P(2), and one P(3) atom to form distorted PCd2P2 tetrahedra that share corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with two equivalent Cd(1)P3Br2 trigonal bipyramids, and corners with two equivalent Cd(2)P3Br2 trigonal bipyramids. In the second P site, P(2) is bonded to two equivalent Cd(1), one P(1), and one P(3) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(1)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(2)P3Br2 trigonal bipyramids. In the third P site, P(3) is bonded to two equivalent Cd(2), one P(1), and one P(2) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(2)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(1)P3Br2 trigonal bipyramids. Br(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cd(1) and two equivalent Cd(2) atoms.
Cd2P3Br crystallizes in the monoclinic Cc space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one P(1), two equivalent P(2), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent Cd(2)P3Br2 trigonal bipyramids, corners with four equivalent Cd(1)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(2)P3Br2 trigonal bipyramid. The Cd(1)-P(1) bond length is 2.56 Å. There is one shorter (2.59 Å) and one longer (2.65 Å) Cd(1)-P(2) bond length. There is one shorter (2.87 Å) and one longer (3.28 Å) Cd(1)-Br(1) bond length. In the second Cd site, Cd(2) is bonded to one P(1), two equivalent P(3), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent Cd(1)P3Br2 trigonal bipyramids, corners with four equivalent Cd(2)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(1)P3Br2 trigonal bipyramid. The Cd(2)-P(1) bond length is 2.56 Å. There is one shorter (2.59 Å) and one longer (2.65 Å) Cd(2)-P(3) bond length. There is one shorter (2.87 Å) and one longer (3.28 Å) Cd(2)-Br(1) bond length. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Cd(1), one Cd(2), one P(2), and one P(3) atom to form distorted PCd2P2 tetrahedra that share corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with two equivalent Cd(1)P3Br2 trigonal bipyramids, and corners with two equivalent Cd(2)P3Br2 trigonal bipyramids. The P(1)-P(2) bond length is 2.19 Å. The P(1)-P(3) bond length is 2.19 Å. In the second P site, P(2) is bonded to two equivalent Cd(1), one P(1), and one P(3) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(1)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(2)P3Br2 trigonal bipyramids. The P(2)-P(3) bond length is 2.19 Å. In the third P site, P(3) is bonded to two equivalent Cd(2), one P(1), and one P(2) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(2)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(1)P3Br2 trigonal bipyramids. Br(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cd(1) and two equivalent Cd(2) atoms.