Ce4Ni4Bi3Sb5 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1); two equivalent Ni(2); four equivalent Bi(1,3); and four equivalent Sb(2) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Bi(2), two equivalent Sb(3), and four equivalent Sb(1) atoms to form distorted CeNi4Bi2Sb6 cuboctahedra that share corners with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, corners with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, corners with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, edges with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, edges with two equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, edges with two equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, and faces with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1,3) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Bi(1,3) atoms. In the second Bi site, Bi(2) is bonded to four equivalent Ce(2) and four equivalent Sb(3) atoms to form distorted BiCe4Sb4 hexagonal bipyramids that share corners with eight equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, corners with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, edges with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, edges with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, and faces with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ce(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the third Sb site, Sb(3) is bonded to four equivalent Ce(2) and four equivalent Bi(2) atoms to form distorted SbCe4Bi4 hexagonal bipyramids that share corners with eight equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, corners with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, edges with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, edges with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, and faces with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids.
Ce4Ni4Bi3Sb5 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1); two equivalent Ni(2); four equivalent Bi(1,3); and four equivalent Sb(2) atoms. Both Ce(1)-Ni(1) bond lengths are 3.11 Å. Both Ce(1)-Ni(2) bond lengths are 3.11 Å. All Ce(1)-Bi(1,3) bond lengths are 3.48 Å. All Ce(1)-Sb(2) bond lengths are 3.28 Å. In the second Ce site, Ce(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Bi(2), two equivalent Sb(3), and four equivalent Sb(1) atoms to form distorted CeNi4Bi2Sb6 cuboctahedra that share corners with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, corners with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, corners with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, edges with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, edges with two equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, edges with two equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, and faces with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra. Both Ce(2)-Ni(1) bond lengths are 3.14 Å. Both Ce(2)-Ni(2) bond lengths are 3.14 Å. Both Ce(2)-Bi(2) bond lengths are 3.44 Å. Both Ce(2)-Sb(3) bond lengths are 3.44 Å. All Ce(2)-Sb(1) bond lengths are 3.29 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. Both Ni(1)-Sb(1) bond lengths are 2.62 Å. Both Ni(1)-Sb(2) bond lengths are 2.62 Å. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. Both Ni(2)-Sb(1) bond lengths are 2.62 Å. Both Ni(2)-Sb(2) bond lengths are 2.62 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1,3) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Bi(1,3) atoms. All Bi(1,3)-Bi(1,3) bond lengths are 3.18 Å. In the second Bi site, Bi(2) is bonded to four equivalent Ce(2) and four equivalent Sb(3) atoms to form distorted BiCe4Sb4 hexagonal bipyramids that share corners with eight equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, corners with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, edges with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, edges with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, and faces with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids. All Bi(2)-Sb(3) bond lengths are 3.18 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ce(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the third Sb site, Sb(3) is bonded to four equivalent Ce(2) and four equivalent Bi(2) atoms to form distorted SbCe4Bi4 hexagonal bipyramids that share corners with eight equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, corners with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids, edges with four equivalent Ce(2)Ni4Bi2Sb6 cuboctahedra, edges with four equivalent Bi(2)Ce4Sb4 hexagonal bipyramids, and faces with four equivalent Sb(3)Ce4Bi4 hexagonal bipyramids.