Tb2Sb5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(4), two equivalent Sb(1), two equivalent Sb(9), and three equivalent Sb(8) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(7), two equivalent Sb(2), two equivalent Sb(5), and three equivalent Sb(3) atoms. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(7), two equivalent Sb(3), two equivalent Sb(9), and three equivalent Sb(6) atoms. In the fourth Tb site, Tb(4) is bonded in a 9-coordinate geometry to one Sb(5), one Sb(6), one Sb(8), two equivalent Sb(4), two equivalent Sb(7), and two equivalent Sb(9) atoms. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Tb(2), two equivalent Tb(1), one Sb(10), and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Tb(1), one Tb(3), two equivalent Tb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Tb(3), three equivalent Tb(2), and two equivalent Sb(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Tb(1), two equivalent Tb(4), and two equivalent Sb(8) atoms. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to one Tb(4), two equivalent Tb(2), two equivalent Sb(10), and two equivalent Sb(7) atoms. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(3), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the seventh Sb site, Sb(7) is bonded in a 8-coordinate geometry to one Tb(2), one Tb(3), two equivalent Tb(4), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the eighth Sb site, Sb(8) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(1), two equivalent Sb(4), and two equivalent Sb(8) atoms. In the ninth Sb site, Sb(9) is bonded to two equivalent Tb(1), two equivalent Tb(3), and two equivalent Tb(4) atoms to form distorted face-sharing SbTb6 pentagonal pyramids. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent Sb(5) atoms.
Tb2Sb5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(4), two equivalent Sb(1), two equivalent Sb(9), and three equivalent Sb(8) atoms. The Tb(1)-Sb(2) bond length is 3.32 Å. The Tb(1)-Sb(4) bond length is 3.28 Å. Both Tb(1)-Sb(1) bond lengths are 3.19 Å. Both Tb(1)-Sb(9) bond lengths are 3.14 Å. There are two shorter (3.29 Å) and one longer (3.32 Å) Tb(1)-Sb(8) bond length. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(7), two equivalent Sb(2), two equivalent Sb(5), and three equivalent Sb(3) atoms. The Tb(2)-Sb(1) bond length is 3.41 Å. The Tb(2)-Sb(7) bond length is 3.24 Å. Both Tb(2)-Sb(2) bond lengths are 3.21 Å. Both Tb(2)-Sb(5) bond lengths are 3.39 Å. There are two shorter (3.18 Å) and one longer (3.35 Å) Tb(2)-Sb(3) bond length. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(7), two equivalent Sb(3), two equivalent Sb(9), and three equivalent Sb(6) atoms. The Tb(3)-Sb(2) bond length is 3.19 Å. The Tb(3)-Sb(7) bond length is 3.30 Å. Both Tb(3)-Sb(3) bond lengths are 3.23 Å. Both Tb(3)-Sb(9) bond lengths are 3.19 Å. There are two shorter (3.29 Å) and one longer (3.36 Å) Tb(3)-Sb(6) bond length. In the fourth Tb site, Tb(4) is bonded in a 9-coordinate geometry to one Sb(5), one Sb(6), one Sb(8), two equivalent Sb(4), two equivalent Sb(7), and two equivalent Sb(9) atoms. The Tb(4)-Sb(5) bond length is 3.33 Å. The Tb(4)-Sb(6) bond length is 3.18 Å. The Tb(4)-Sb(8) bond length is 3.12 Å. Both Tb(4)-Sb(4) bond lengths are 3.37 Å. Both Tb(4)-Sb(7) bond lengths are 3.28 Å. Both Tb(4)-Sb(9) bond lengths are 3.16 Å. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Tb(2), two equivalent Tb(1), one Sb(10), and two equivalent Sb(2) atoms. The Sb(1)-Sb(10) bond length is 2.84 Å. Both Sb(1)-Sb(2) bond lengths are 3.01 Å. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Tb(1), one Tb(3), two equivalent Tb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. Both Sb(2)-Sb(3) bond lengths are 3.15 Å. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Tb(3), three equivalent Tb(2), and two equivalent Sb(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Tb(1), two equivalent Tb(4), and two equivalent Sb(8) atoms. Both Sb(4)-Sb(8) bond lengths are 2.91 Å. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to one Tb(4), two equivalent Tb(2), two equivalent Sb(10), and two equivalent Sb(7) atoms. Both Sb(5)-Sb(10) bond lengths are 2.92 Å. Both Sb(5)-Sb(7) bond lengths are 3.22 Å. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(3), two equivalent Sb(6), and two equivalent Sb(7) atoms. Both Sb(6)-Sb(6) bond lengths are 3.11 Å. Both Sb(6)-Sb(7) bond lengths are 2.92 Å. In the seventh Sb site, Sb(7) is bonded in a 8-coordinate geometry to one Tb(2), one Tb(3), two equivalent Tb(4), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the eighth Sb site, Sb(8) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(1), two equivalent Sb(4), and two equivalent Sb(8) atoms. Both Sb(8)-Sb(8) bond lengths are 3.20 Å. In the ninth Sb site, Sb(9) is bonded to two equivalent Tb(1), two equivalent Tb(3), and two equivalent Tb(4) atoms to form distorted face-sharing SbTb6 pentagonal pyramids. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent Sb(5) atoms.