KBeYbF6 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded to one F(2), three equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms to form distorted KF12 cuboctahedra that share corners with two equivalent K(1)F12 cuboctahedra, corners with two equivalent Be(1)F4 tetrahedra, edges with two equivalent K(1)F12 cuboctahedra, edges with three equivalent Be(1)F4 tetrahedra, and faces with two equivalent K(1)F12 cuboctahedra. Be(1) is bonded to one F(2), one F(4), and two equivalent F(1) atoms to form BeF4 tetrahedra that share corners with two equivalent K(1)F12 cuboctahedra and edges with three equivalent K(1)F12 cuboctahedra. Yb(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one Yb(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Be(1), and one Yb(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Yb(1) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent K(1), one Be(1), and one Yb(1) atom.
KBeYbF6 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded to one F(2), three equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms to form distorted KF12 cuboctahedra that share corners with two equivalent K(1)F12 cuboctahedra, corners with two equivalent Be(1)F4 tetrahedra, edges with two equivalent K(1)F12 cuboctahedra, edges with three equivalent Be(1)F4 tetrahedra, and faces with two equivalent K(1)F12 cuboctahedra. The K(1)-F(2) bond length is 3.13 Å. There are two shorter (3.05 Å) and one longer (3.23 Å) K(1)-F(4) bond length. There are two shorter (2.90 Å) and two longer (2.93 Å) K(1)-F(1) bond lengths. There are two shorter (3.11 Å) and two longer (3.14 Å) K(1)-F(3) bond lengths. Be(1) is bonded to one F(2), one F(4), and two equivalent F(1) atoms to form BeF4 tetrahedra that share corners with two equivalent K(1)F12 cuboctahedra and edges with three equivalent K(1)F12 cuboctahedra. The Be(1)-F(2) bond length is 1.53 Å. The Be(1)-F(4) bond length is 1.61 Å. Both Be(1)-F(1) bond lengths are 1.56 Å. Yb(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. The Yb(1)-F(2) bond length is 2.20 Å. The Yb(1)-F(4) bond length is 2.36 Å. Both Yb(1)-F(1) bond lengths are 2.22 Å. There are two shorter (2.35 Å) and two longer (2.36 Å) Yb(1)-F(3) bond lengths. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one Yb(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Be(1), and one Yb(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Yb(1) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent K(1), one Be(1), and one Yb(1) atom.