Cd3BPO7 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. In the second Cd site, Cd(2) is bonded to one O(1), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the third Cd site, Cd(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CdO5 trigonal bipyramids that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 75-90°. B(1) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-63°. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fourth O site, O(7) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to two equivalent Cd(2) and one P(1) atom.
Cd3BPO7 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. The Cd(1)-O(1) bond length is 2.35 Å. The Cd(1)-O(2) bond length is 2.23 Å. The Cd(1)-O(4) bond length is 2.35 Å. The Cd(1)-O(5) bond length is 2.27 Å. The Cd(1)-O(6) bond length is 2.58 Å. The Cd(1)-O(7) bond length is 2.58 Å. In the second Cd site, Cd(2) is bonded to one O(1), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. The Cd(2)-O(1) bond length is 2.29 Å. The Cd(2)-O(5) bond length is 2.74 Å. The Cd(2)-O(6) bond length is 2.38 Å. The Cd(2)-O(7) bond length is 2.29 Å. Both Cd(2)-O(3) bond lengths are 2.36 Å. In the third Cd site, Cd(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CdO5 trigonal bipyramids that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 75-90°. The Cd(3)-O(2) bond length is 2.32 Å. The Cd(3)-O(4) bond length is 2.37 Å. The Cd(3)-O(5) bond length is 2.27 Å. The Cd(3)-O(6) bond length is 2.25 Å. The Cd(3)-O(7) bond length is 2.26 Å. B(1) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. The B(1)-O(5) bond length is 1.39 Å. The B(1)-O(6) bond length is 1.39 Å. The B(1)-O(7) bond length is 1.40 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-63°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fourth O site, O(7) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to two equivalent Cd(2) and one P(1) atom.