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PrTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pr–Tl bond lengths are 3.41 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
Pr2Tl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to eight Pr and six equivalent Tl atoms. There are two shorter (3.50 Å) and six longer (3.69 Å) Pr–Pr bond lengths. All Pr–Tl bond lengths are 3.69 Å. In the second Pr site, Pr is bonded to six equivalent Pr and five equivalent Tl atoms to form a mixture of distorted corner and face-sharing PrPr6Tl5 trigonal bipyramids. There are three shorter (3.25 Å) and two longer (3.50 Å) Pr–Tl bond lengths. Tl is bonded in a 11-coordinate geometry to eleven Pr atoms.
PrTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Tl atoms to form PrTl12 cuboctahedra that share corners with twelve equivalent PrTl12 cuboctahedra, edges with twenty-four equivalent TlPr4Tl8 cuboctahedra, faces with six equivalent PrTl12 cuboctahedra, and faces with twelve equivalent TlPr4Tl8 cuboctahedra. All Pr–Tl bond lengths are 3.44 Å. Tl is bonded to four equivalent Pr and eight equivalent Tl atoms to form distorted TlPr4Tl8 cuboctahedra that share corners with twelve equivalent TlPr4Tl8 cuboctahedra, edges with eight equivalent PrTl12 cuboctahedra, edges with sixteen equivalent TlPr4Tl8 cuboctahedra, faces with four equivalent PrTl12 cuboctahedra, and faces with fourteen equivalent TlPr4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.44 Å.
Pr3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Tl atoms to form distorted PrPr8Tl4 cuboctahedra that share corners with twelve equivalent PrPr8Tl4 cuboctahedra, edges with eight equivalent TlPr12 cuboctahedra, edges with sixteen equivalent PrPr8Tl4 cuboctahedra, faces with four equivalent TlPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Tl4 cuboctahedra. All Pr–Pr bond lengths are 3.56 Å. All Pr–Tl bond lengths are 3.56 Å. Tl is bonded to twelve equivalent Pr atoms to form TlPr12 cuboctahedra that share corners with twelve equivalent TlPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Tl4 cuboctahedra, faces with six equivalent TlPr12 cuboctahedra, and faces with twelve equivalent PrPr8Tl4 cuboctahedra.