KLiBeF4 crystallizes in the hexagonal P6_3 space group. K(1) is bonded in a distorted q6 geometry to three equivalent F(2) and six equivalent F(1) atoms. Li(1) is bonded to one F(2) and three equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four equivalent Be(1)F4 tetrahedra. Be(1) is bonded to one F(2) and three equivalent F(1) atoms to form BeF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one Be(1) atom. In the second F site, F(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one Be(1) atom.
KLiBeF4 crystallizes in the hexagonal P6_3 space group. K(1) is bonded in a distorted q6 geometry to three equivalent F(2) and six equivalent F(1) atoms. All K(1)-F(2) bond lengths are 2.90 Å. There are three shorter (2.76 Å) and three longer (2.81 Å) K(1)-F(1) bond lengths. Li(1) is bonded to one F(2) and three equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four equivalent Be(1)F4 tetrahedra. The Li(1)-F(2) bond length is 1.82 Å. All Li(1)-F(1) bond lengths are 1.83 Å. Be(1) is bonded to one F(2) and three equivalent F(1) atoms to form BeF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra. The Be(1)-F(2) bond length is 1.55 Å. All Be(1)-F(1) bond lengths are 1.55 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one Be(1) atom. In the second F site, F(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one Be(1) atom.