CaBeY2O5 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Be(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Y(1), and two equivalent Y(2) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Y(1), and two equivalent Y(2) atoms. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), one Be(1), one Y(1), and two equivalent Y(2) atoms. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent Y(1), and two equivalent Y(2) atoms. In the fifth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Be(1), one Y(2), and two equivalent Y(1) atoms.
CaBeY2O5 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The Ca(1)-O(3) bond length is 2.77 Å. There is one shorter (2.45 Å) and one longer (2.46 Å) Ca(1)-O(1) bond length. There is one shorter (2.45 Å) and one longer (2.52 Å) Ca(1)-O(2) bond length. There is one shorter (2.46 Å) and one longer (2.73 Å) Ca(1)-O(4) bond length. There is one shorter (2.45 Å) and one longer (2.50 Å) Ca(1)-O(5) bond length. Be(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Be(1)-O(1) bond length is 1.63 Å. The Be(1)-O(2) bond length is 1.68 Å. The Be(1)-O(3) bond length is 1.60 Å. The Be(1)-O(4) bond length is 1.59 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. The Y(1)-O(1) bond length is 2.45 Å. The Y(1)-O(2) bond length is 2.37 Å. There is one shorter (2.26 Å) and one longer (2.39 Å) Y(1)-O(3) bond length. There is one shorter (2.23 Å) and one longer (2.46 Å) Y(1)-O(4) bond length. There is one shorter (2.30 Å) and one longer (2.83 Å) Y(1)-O(5) bond length. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The Y(2)-O(4) bond length is 2.66 Å. There is one shorter (2.38 Å) and one longer (2.48 Å) Y(2)-O(1) bond length. There is one shorter (2.45 Å) and one longer (2.56 Å) Y(2)-O(2) bond length. There is one shorter (2.46 Å) and one longer (2.78 Å) Y(2)-O(3) bond length. There is one shorter (2.36 Å) and one longer (2.61 Å) Y(2)-O(5) bond length. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Y(1), and two equivalent Y(2) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Y(1), and two equivalent Y(2) atoms. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), one Be(1), one Y(1), and two equivalent Y(2) atoms. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent Y(1), and two equivalent Y(2) atoms. In the fifth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Be(1), one Y(2), and two equivalent Y(1) atoms.