BeY3CrS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. Y(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Cr(1) is bonded to six equivalent S(1) atoms to form face-sharing CrS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Y(1) and two equivalent Cr(1) atoms to form distorted SY3Cr2 square pyramids that share corners with two equivalent S(1)Y3Cr2 square pyramids, corners with three equivalent S(3)Y3Be trigonal pyramids, edges with four equivalent S(1)Y3Cr2 square pyramids, and faces with two equivalent S(1)Y3Cr2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Be(1) and three equivalent Y(1) atoms. In the third S site, S(3) is bonded to one Be(1) and three equivalent Y(1) atoms to form distorted corner-sharing SY3Be trigonal pyramids.
BeY3CrS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. The Be(1)-S(3) bond length is 2.10 Å. All Be(1)-S(2) bond lengths are 2.10 Å. Y(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. The Y(1)-S(3) bond length is 2.71 Å. There are a spread of Y(1)-S(1) bond distances ranging from 2.86-2.98 Å. There are a spread of Y(1)-S(2) bond distances ranging from 2.67-2.85 Å. Cr(1) is bonded to six equivalent S(1) atoms to form face-sharing CrS6 octahedra. There are three shorter (2.39 Å) and three longer (2.45 Å) Cr(1)-S(1) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Y(1) and two equivalent Cr(1) atoms to form distorted SY3Cr2 square pyramids that share corners with two equivalent S(1)Y3Cr2 square pyramids, corners with three equivalent S(3)Y3Be trigonal pyramids, edges with four equivalent S(1)Y3Cr2 square pyramids, and faces with two equivalent S(1)Y3Cr2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Be(1) and three equivalent Y(1) atoms. In the third S site, S(3) is bonded to one Be(1) and three equivalent Y(1) atoms to form distorted corner-sharing SY3Be trigonal pyramids.