Pr2Au3Sn6 crystallizes in the tetragonal I4mm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Au(1), four equivalent Sn(2), and four equivalent Sn(4) atoms to form a mixture of face and corner-sharing PrSn8Au4 cuboctahedra. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Au(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Pr(2), one Sn(3), and four equivalent Sn(1) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted water-like geometry to two equivalent Pr(2), two equivalent Au(2), and one Sn(2) atom. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Pr(1), one Sn(1), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to four equivalent Pr(2), one Au(2), and four equivalent Au(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Au(1) atoms.
Pr2Au3Sn6 crystallizes in the tetragonal I4mm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Au(1), four equivalent Sn(2), and four equivalent Sn(4) atoms to form a mixture of face and corner-sharing PrSn8Au4 cuboctahedra. All Pr(1)-Au(1) bond lengths are 3.37 Å. All Pr(1)-Sn(2) bond lengths are 3.37 Å. All Pr(1)-Sn(4) bond lengths are 3.31 Å. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Au(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. All Pr(2)-Au(1) bond lengths are 3.59 Å. All Pr(2)-Au(2) bond lengths are 3.52 Å. All Pr(2)-Sn(1) bond lengths are 3.77 Å. All Pr(2)-Sn(3) bond lengths are 3.47 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. Both Au(1)-Sn(3) bond lengths are 2.75 Å. Both Au(1)-Sn(4) bond lengths are 2.90 Å. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Pr(2), one Sn(3), and four equivalent Sn(1) atoms. The Au(2)-Sn(3) bond length is 2.63 Å. All Au(2)-Sn(1) bond lengths are 2.80 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted water-like geometry to two equivalent Pr(2), two equivalent Au(2), and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.94 Å. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Pr(1), one Sn(1), and four equivalent Sn(2) atoms. All Sn(2)-Sn(2) bond lengths are 3.24 Å. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to four equivalent Pr(2), one Au(2), and four equivalent Au(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Au(1) atoms.