PrAuAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(2)As8Au4 cuboctahedra. In the second Pr site, Pr(2) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(1)As8Au4 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(2)Pr4As4Au4 cuboctahedra. In the second Au site, Au(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(2)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(1)Pr4As4Au4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and three equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms.
PrAuAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(2)As8Au4 cuboctahedra. Both Pr(1)-Au(1) bond lengths are 3.47 Å. Both Pr(1)-Au(2) bond lengths are 3.44 Å. There is one shorter (3.05 Å) and one longer (3.06 Å) Pr(1)-As(2) bond length. Both Pr(1)-As(3) bond lengths are 3.06 Å. There are two shorter (3.20 Å) and two longer (3.27 Å) Pr(1)-As(1) bond lengths. In the second Pr site, Pr(2) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(1)As8Au4 cuboctahedra. Both Pr(2)-Au(1) bond lengths are 3.44 Å. Both Pr(2)-Au(2) bond lengths are 3.46 Å. Both Pr(2)-As(2) bond lengths are 3.06 Å. Both Pr(2)-As(3) bond lengths are 3.05 Å. There are two shorter (3.18 Å) and two longer (3.27 Å) Pr(2)-As(1) bond lengths. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(2)Pr4As4Au4 cuboctahedra. Both Au(1)-Au(1) bond lengths are 2.93 Å. Both Au(1)-Au(2) bond lengths are 2.93 Å. Both Au(1)-As(2) bond lengths are 2.79 Å. Both Au(1)-As(3) bond lengths are 2.82 Å. In the second Au site, Au(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(2)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(1)Pr4As4Au4 cuboctahedra. Both Au(2)-Au(2) bond lengths are 2.93 Å. Both Au(2)-As(2) bond lengths are 2.82 Å. Both Au(2)-As(3) bond lengths are 2.79 Å. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and three equivalent As(1) atoms. There are a spread of As(1)-As(1) bond distances ranging from 2.58-2.98 Å. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms.