Ca2Pd3Sb4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), four equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Ca site, Ca(2) is bonded to four equivalent Pd(3), four equivalent Sb(1), and four equivalent Sb(3) atoms to form a mixture of face and corner-sharing CaSb8Pd4 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Sb(2), and four equivalent Sb(1) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Sb(2) atoms. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Pd(1), and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pd(1), and four equivalent Pd(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Pd(3) atoms.
Ca2Pd3Sb4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), four equivalent Sb(1), and four equivalent Sb(2) atoms. All Ca(1)-Pd(1) bond lengths are 3.49 Å. All Ca(1)-Pd(2) bond lengths are 3.48 Å. All Ca(1)-Sb(1) bond lengths are 3.70 Å. All Ca(1)-Sb(2) bond lengths are 3.41 Å. In the second Ca site, Ca(2) is bonded to four equivalent Pd(3), four equivalent Sb(1), and four equivalent Sb(3) atoms to form a mixture of face and corner-sharing CaSb8Pd4 cuboctahedra. All Ca(2)-Pd(3) bond lengths are 3.26 Å. All Ca(2)-Sb(1) bond lengths are 3.48 Å. All Ca(2)-Sb(3) bond lengths are 3.28 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Sb(2), and four equivalent Sb(1) atoms. The Pd(1)-Sb(2) bond length is 2.61 Å. All Pd(1)-Sb(1) bond lengths are 2.72 Å. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Sb(2) atoms. All Pd(2)-Sb(2) bond lengths are 2.69 Å. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Sb(3) atoms. All Pd(3)-Sb(3) bond lengths are 2.75 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Pd(1), and four equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.19 Å. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pd(1), and four equivalent Pd(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Pd(3) atoms.