Materials Data on PdRh by Materials Project

RhPd is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Rh and six Pd atoms to form RhPd6Rh6 cuboctahedra that share corners with twelve RhPd6Rh6 cuboctahedra, edges with twelve RhPd6Rh6 cuboctahedra, edges with twelve PdPd6Rh6 cuboctahedra, faces with six equivalent RhPd6Rh6 cuboctahedra, and faces with twelve PdPd6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.76 Å. All Rh–Pd bond lengths are 2.75 Å. In the second Rh site, Rh is bonded to ten equivalent Rh and six Pd atoms to form RhPd6Rh10 cuboctahedra that share corners with ten PdPd6Rh6 cuboctahedra, corners with twelve RhPd6Rh6 cuboctahedra, edges with eight PdPd6Rh6 cuboctahedra, edges with sixteen RhPd6Rh6 cuboctahedra, faces with sixteen equivalent RhPd6Rh10 cuboctahedra, and faces with eighteen PdPd6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.76–5.52 Å. All Rh–Pd bond lengths are 2.75 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to six equivalent Rh and six equivalent Pd atoms to form PdPd6Rh6 cuboctahedra that share corners with twelve PdPd6Rh6 cuboctahedra, edges with twelve equivalent RhPd6Rh6 cuboctahedra, edges with twelve PdPd6Rh6 cuboctahedra, faces with six equivalent PdPd6Rh6 cuboctahedra, and faces with twelve equivalent RhPd6Rh6 cuboctahedra. All Pd–Pd bond lengths are 2.76 Å. In the second Pd site, Pd is bonded to six Rh and six equivalent Pd atoms to form PdPd6Rh6 cuboctahedra that share corners with five equivalent RhPd6Rh10 cuboctahedra, corners with twelve PdPd6Rh6 cuboctahedra, edges with ten RhPd6Rh6 cuboctahedra, edges with twelve PdPd6Rh6 cuboctahedra, faces with six equivalent PdPd6Rh6 cuboctahedra, and faces with fifteen RhPd6Rh6 cuboctahedra. All Pd–Rh bond lengths are 2.75 Å. All Pd–Pd bond lengths are 2.76 Å. In the third Pd site, Pd is bonded to six Rh and six equivalent Pd atoms to form PdPd6Rh6 cuboctahedra that share corners with five equivalent RhPd6Rh10 cuboctahedra, corners with twelve PdPd6Rh6 cuboctahedra, edges with ten RhPd6Rh6 cuboctahedra, edges with twelve PdPd6Rh6 cuboctahedra, faces with six equivalent PdPd6Rh6 cuboctahedra, and faces with fifteen RhPd6Rh6 cuboctahedra. All Pd–Pd bond lengths are 2.76 Å.

铑钯（RhPd）相源自α-镧（α-La），属于三方晶系R-3m空间群，为三维空间结构。体系中存在两个不等价的铑（Rh）位点。在第一个铑位点中，铑与6个等价的铑和6个钯（Pd）原子成键，形成RhPd₆Rh₆立方八面体；该立方八面体分别与12个RhPd₆Rh₆立方八面体共享顶点、与12个RhPd₆Rh₆立方八面体共享棱、与12个PdPd₆Rh₆立方八面体共享棱、与6个等价的RhPd₆Rh₆立方八面体共享面，以及与12个PdPd₆Rh₆立方八面体共享面。所有铑-铑键长均为2.76 Å，所有铑-钯键长均为2.75 Å。在第二个铑位点中，铑与10个等价的铑和6个钯原子成键，形成RhPd₆Rh₁₀立方八面体；该立方八面体分别与10个PdPd₆Rh₆立方八面体共享顶点、与12个RhPd₆Rh₆立方八面体共享顶点、与8个PdPd₆Rh₆立方八面体共享棱、与16个RhPd₆Rh₆立方八面体共享棱、与16个等价的RhPd₆Rh₁₀立方八面体共享面，以及与18个PdPd₆Rh₆立方八面体共享面。铑-铑键长分布范围为2.76~5.52 Å，所有铑-钯键长均为2.75 Å。体系中存在三个不等价的钯（Pd）位点。在第一个钯位点中，钯与6个等价的铑和6个等价的钯原子成键，形成PdPd₆Rh₆立方八面体；该立方八面体分别与12个PdPd₆Rh₆立方八面体共享顶点、与12个等价的RhPd₆Rh₆立方八面体共享棱、与12个PdPd₆Rh₆立方八面体共享棱、与6个等价的PdPd₆Rh₆立方八面体共享面，以及与12个等价的RhPd₆Rh₆立方八面体共享面。所有钯-钯键长均为2.76 Å。在第二个钯位点中，钯与6个铑和6个等价的钯原子成键，形成PdPd₆Rh₆立方八面体；该立方八面体分别与5个等价的RhPd₆Rh₁₀立方八面体共享顶点、与12个PdPd₆Rh₆立方八面体共享顶点、与10个RhPd₆Rh₆立方八面体共享棱、与12个PdPd₆Rh₆立方八面体共享棱、与6个等价的PdPd₆Rh₆立方八面体共享面，以及与15个RhPd₆Rh₆立方八面体共享面。所有钯-铑键长均为2.75 Å，所有钯-钯键长均为2.76 Å。在第三个钯位点中，钯与6个铑和6个等价的钯原子成键，形成PdPd₆Rh₆立方八面体；该立方八面体分别与5个等价的RhPd₆Rh₁₀立方八面体共享顶点、与12个PdPd₆Rh₆立方八面体共享顶点、与10个RhPd₆Rh₆立方八面体共享棱、与12个PdPd₆Rh₆立方八面体共享棱、与6个等价的PdPd₆Rh₆立方八面体共享面，以及与15个RhPd₆Rh₆立方八面体共享面。所有钯-钯键长均为2.76 Å。