Li2MgCdP2 is half-Heusler-derived structured and crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a body-centered cubic geometry to two equivalent Mg(1), two equivalent Cd(1), two equivalent P(1), and two equivalent P(2) atoms. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), two equivalent P(2), and four equivalent P(1) atoms. Cd(1) is bonded to four equivalent Li(1), two equivalent P(1), and four equivalent P(2) atoms to form distorted CdLi4P6 tetrahedra that share corners with four equivalent P(1)Li4Mg4Cd2 tetrahedra, corners with six equivalent Cd(1)Li4P6 tetrahedra, edges with two equivalent P(1)Li4Mg4Cd2 tetrahedra, edges with four equivalent P(2)Li4Mg2Cd4 tetrahedra, and faces with four equivalent Cd(1)Li4P6 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Li(1), four equivalent Mg(1), and two equivalent Cd(1) atoms to form distorted PLi4Mg4Cd2 tetrahedra that share corners with four equivalent Cd(1)Li4P6 tetrahedra, corners with six equivalent P(1)Li4Mg4Cd2 tetrahedra, edges with two equivalent Cd(1)Li4P6 tetrahedra, faces with four equivalent P(1)Li4Mg4Cd2 tetrahedra, and faces with eight equivalent P(2)Li4Mg2Cd4 tetrahedra. In the second P site, P(2) is bonded to four equivalent Li(1), two equivalent Mg(1), and four equivalent Cd(1) atoms to form distorted PLi4Mg2Cd4 tetrahedra that share corners with six equivalent P(2)Li4Mg2Cd4 tetrahedra, edges with four equivalent Cd(1)Li4P6 tetrahedra, faces with four equivalent P(2)Li4Mg2Cd4 tetrahedra, and faces with eight equivalent P(1)Li4Mg4Cd2 tetrahedra.
Li2MgCdP2 is half-Heusler-derived structured and crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a body-centered cubic geometry to two equivalent Mg(1), two equivalent Cd(1), two equivalent P(1), and two equivalent P(2) atoms. Both Li(1)-Mg(1) bond lengths are 2.55 Å. Both Li(1)-Cd(1) bond lengths are 2.53 Å. Both Li(1)-P(1) bond lengths are 2.55 Å. Both Li(1)-P(2) bond lengths are 2.53 Å. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), two equivalent P(2), and four equivalent P(1) atoms. Both Mg(1)-P(2) bond lengths are 2.92 Å. All Mg(1)-P(1) bond lengths are 2.95 Å. Cd(1) is bonded to four equivalent Li(1), two equivalent P(1), and four equivalent P(2) atoms to form distorted CdLi4P6 tetrahedra that share corners with four equivalent P(1)Li4Mg4Cd2 tetrahedra, corners with six equivalent Cd(1)Li4P6 tetrahedra, edges with two equivalent P(1)Li4Mg4Cd2 tetrahedra, edges with four equivalent P(2)Li4Mg2Cd4 tetrahedra, and faces with four equivalent Cd(1)Li4P6 tetrahedra. Both Cd(1)-P(1) bond lengths are 2.92 Å. All Cd(1)-P(2) bond lengths are 2.95 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Li(1), four equivalent Mg(1), and two equivalent Cd(1) atoms to form distorted PLi4Mg4Cd2 tetrahedra that share corners with four equivalent Cd(1)Li4P6 tetrahedra, corners with six equivalent P(1)Li4Mg4Cd2 tetrahedra, edges with two equivalent Cd(1)Li4P6 tetrahedra, faces with four equivalent P(1)Li4Mg4Cd2 tetrahedra, and faces with eight equivalent P(2)Li4Mg2Cd4 tetrahedra. In the second P site, P(2) is bonded to four equivalent Li(1), two equivalent Mg(1), and four equivalent Cd(1) atoms to form distorted PLi4Mg2Cd4 tetrahedra that share corners with six equivalent P(2)Li4Mg2Cd4 tetrahedra, edges with four equivalent Cd(1)Li4P6 tetrahedra, faces with four equivalent P(2)Li4Mg2Cd4 tetrahedra, and faces with eight equivalent P(1)Li4Mg4Cd2 tetrahedra.