BaBePO4F crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), three equivalent O(3), and three equivalent F(1) atoms. Be(1) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form BeO3F tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. 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 Be(1)O3F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Be(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Be(1), and one P(1) atom. F(1) is bonded in a single-bond geometry to three equivalent Ba(1) and one Be(1) atom.
BaBePO4F crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), three equivalent O(3), and three equivalent F(1) atoms. The Ba(1)-O(1) bond length is 2.81 Å. The Ba(1)-O(2) bond length is 2.78 Å. The Ba(1)-O(4) bond length is 2.81 Å. There are a spread of Ba(1)-O(3) bond distances ranging from 2.89-2.97 Å. There are a spread of Ba(1)-F(1) bond distances ranging from 2.85-3.02 Å. Be(1) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form BeO3F tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. The Be(1)-O(1) bond length is 1.62 Å. The Be(1)-O(2) bond length is 1.62 Å. The Be(1)-O(4) bond length is 1.62 Å. The Be(1)-F(1) bond length is 1.57 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 Be(1)O3F tetrahedra. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(4) bond length is 1.54 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Be(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Be(1), and one P(1) atom. F(1) is bonded in a single-bond geometry to three equivalent Ba(1) and one Be(1) atom.