Y3ReB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), and three equivalent B(4) atoms. In the second Y site, Y(2) is bonded in a 15-coordinate geometry to one Re(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Re(1) is bonded in a 5-coordinate geometry to one Y(2), one B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one B(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded to two equivalent Y(1), two equivalent Y(2), one B(3), and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing BY4B3 pentagonal bipyramids. In the third B site, B(3) is bonded in a 7-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Re(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Y(2), three equivalent Y(1), two equivalent Re(1), one B(1), and one B(4) atom.
Y3ReB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), and three equivalent B(4) atoms. Both Y(1)-B(1) bond lengths are 2.77 Å. Both Y(1)-B(2) bond lengths are 2.57 Å. Both Y(1)-B(3) bond lengths are 2.76 Å. There are two shorter (2.87 Å) and one longer (2.91 Å) Y(1)-B(4) bond length. In the second Y site, Y(2) is bonded in a 15-coordinate geometry to one Re(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. The Y(2)-Re(1) bond length is 2.95 Å. Both Y(2)-B(3) bond lengths are 2.89 Å. All Y(2)-B(1) bond lengths are 2.72 Å. All Y(2)-B(2) bond lengths are 2.59 Å. All Y(2)-B(4) bond lengths are 2.80 Å. Re(1) is bonded in a 5-coordinate geometry to one Y(2), one B(3), and four equivalent B(4) atoms. The Re(1)-B(3) bond length is 2.35 Å. All Re(1)-B(4) bond lengths are 2.29 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one B(1), one B(4), and two equivalent B(2) atoms. The B(1)-B(1) bond length is 1.86 Å. The B(1)-B(4) bond length is 1.91 Å. There is one shorter (1.68 Å) and one longer (1.71 Å) B(1)-B(2) bond length. In the second B site, B(2) is bonded to two equivalent Y(1), two equivalent Y(2), one B(3), and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing BY4B3 pentagonal bipyramids. The B(2)-B(3) bond length is 1.69 Å. In the third B site, B(3) is bonded in a 7-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Re(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Y(2), three equivalent Y(1), two equivalent Re(1), one B(1), and one B(4) atom. The B(4)-B(4) bond length is 1.80 Å.