BaBPO5 crystallizes in the trigonal P3_121 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one B(1), and one P(1) atom.
BaBPO5 crystallizes in the trigonal P3_121 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. Both Ba(1)-O(2) bond lengths are 2.96 Å. There are two shorter (2.73 Å) and two longer (2.85 Å) Ba(1)-O(1) bond lengths. There are two shorter (2.94 Å) and two longer (2.97 Å) Ba(1)-O(3) bond lengths. B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. Both B(1)-O(2) bond lengths are 1.45 Å. Both B(1)-O(3) bond lengths are 1.53 Å. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. Both P(1)-O(1) bond lengths are 1.51 Å. Both P(1)-O(3) bond lengths are 1.60 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one B(1), and one P(1) atom.