BeYbF4 crystallizes in the triclinic P-1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one F(2), one F(5), one F(6), and one F(7) atom to form corner-sharing BeF4 tetrahedra. In the second Be site, Be(2) is bonded to one F(1), one F(2), one F(5), and one F(6) atom to form corner-sharing BeF4 tetrahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one F(3), one F(7), one F(8), two equivalent F(1), and two equivalent F(4) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(2), one F(4), two equivalent F(3), and two equivalent F(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Be(2) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Be(1), one Be(2), and one Yb(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Yb(2) and two equivalent Yb(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Be(1) and one Yb(1) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms.
BeYbF4 crystallizes in the triclinic P-1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one F(2), one F(5), one F(6), and one F(7) atom to form corner-sharing BeF4 tetrahedra. The Be(1)-F(2) bond length is 1.65 Å. The Be(1)-F(5) bond length is 1.60 Å. The Be(1)-F(6) bond length is 1.61 Å. The Be(1)-F(7) bond length is 1.50 Å. In the second Be site, Be(2) is bonded to one F(1), one F(2), one F(5), and one F(6) atom to form corner-sharing BeF4 tetrahedra. The Be(2)-F(1) bond length is 1.53 Å. The Be(2)-F(2) bond length is 1.63 Å. The Be(2)-F(5) bond length is 1.60 Å. The Be(2)-F(6) bond length is 1.60 Å. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one F(3), one F(7), one F(8), two equivalent F(1), and two equivalent F(4) atoms. The Yb(1)-F(3) bond length is 2.20 Å. The Yb(1)-F(7) bond length is 2.38 Å. The Yb(1)-F(8) bond length is 2.24 Å. There is one shorter (2.31 Å) and one longer (2.45 Å) Yb(1)-F(1) bond length. There is one shorter (2.22 Å) and one longer (2.26 Å) Yb(1)-F(4) bond length. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(2), one F(4), two equivalent F(3), and two equivalent F(8) atoms. The Yb(2)-F(2) bond length is 2.38 Å. The Yb(2)-F(4) bond length is 2.22 Å. There is one shorter (2.18 Å) and one longer (2.22 Å) Yb(2)-F(3) bond length. There is one shorter (2.21 Å) and one longer (2.23 Å) Yb(2)-F(8) bond length. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Be(2) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Be(1), one Be(2), and one Yb(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Yb(2) and two equivalent Yb(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Be(1) and one Yb(1) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms.