Li3Pd4Sn11 is Khatyrkite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted q6 geometry to two equivalent Pd(1), two equivalent Sn(1), two equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to four equivalent Pd(1), one Sn(4), and two equivalent Sn(1) atoms. Pd(1) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Sn(1), one Sn(2), one Sn(4), two equivalent Sn(3), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), and two equivalent Pd(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 5-coordinate geometry to one Li(2) and four equivalent Pd(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to four equivalent Pd(1) atoms.
Li3Pd4Sn11 is Khatyrkite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted q6 geometry to two equivalent Pd(1), two equivalent Sn(1), two equivalent Sn(2), and four equivalent Sn(3) atoms. Both Li(1)-Pd(1) bond lengths are 2.67 Å. Both Li(1)-Sn(1) bond lengths are 2.96 Å. Both Li(1)-Sn(2) bond lengths are 2.96 Å. There are two shorter (2.95 Å) and two longer (2.96 Å) Li(1)-Sn(3) bond lengths. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to four equivalent Pd(1), one Sn(4), and two equivalent Sn(1) atoms. All Li(2)-Pd(1) bond lengths are 2.97 Å. The Li(2)-Sn(4) bond length is 3.12 Å. Both Li(2)-Sn(1) bond lengths are 3.06 Å. Pd(1) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Sn(1), one Sn(2), one Sn(4), two equivalent Sn(3), and two equivalent Sn(5) atoms. The Pd(1)-Sn(1) bond length is 2.79 Å. The Pd(1)-Sn(2) bond length is 2.77 Å. The Pd(1)-Sn(4) bond length is 2.94 Å. There is one shorter (2.74 Å) and one longer (2.77 Å) Pd(1)-Sn(3) bond length. There is one shorter (2.91 Å) and one longer (2.94 Å) Pd(1)-Sn(5) bond length. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), and two equivalent Pd(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 5-coordinate geometry to one Li(2) and four equivalent Pd(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to four equivalent Pd(1) atoms.