Tb4Cu5P7 crystallizes in the tetragonal I4mm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(3) atoms. In the second Tb site, Tb(2) is bonded to four equivalent Cu(1), four equivalent P(1), and four equivalent P(3) atoms to form distorted corner-sharing TbCu4P8 cuboctahedra. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent Cu(2), two equivalent P(2), and four equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Tb(2), one Cu(2), one P(2), and two equivalent P(3) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Tb(1), one Tb(2), two equivalent Tb(3), and two equivalent P(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), and four equivalent Cu(1) atoms.
Tb4Cu5P7 crystallizes in the tetragonal I4mm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(3) atoms. All Tb(1)-P(1) bond lengths are 3.03 Å. All Tb(1)-P(3) bond lengths are 2.92 Å. In the second Tb site, Tb(2) is bonded to four equivalent Cu(1), four equivalent P(1), and four equivalent P(3) atoms to form distorted corner-sharing TbCu4P8 cuboctahedra. All Tb(2)-Cu(1) bond lengths are 3.13 Å. All Tb(2)-P(1) bond lengths are 2.84 Å. All Tb(2)-P(3) bond lengths are 2.88 Å. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent Cu(2), two equivalent P(2), and four equivalent P(1) atoms. Both Tb(3)-Cu(2) bond lengths are 2.89 Å. Both Tb(3)-P(2) bond lengths are 2.91 Å. All Tb(3)-P(1) bond lengths are 2.91 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Tb(2), one Cu(2), one P(2), and two equivalent P(3) atoms. The Cu(1)-Cu(2) bond length is 2.47 Å. The Cu(1)-P(2) bond length is 2.41 Å. Both Cu(1)-P(3) bond lengths are 2.37 Å. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Tb(1), one Tb(2), two equivalent Tb(3), and two equivalent P(1) atoms. Both P(1)-P(1) bond lengths are 2.37 Å. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), and four equivalent Cu(1) atoms.