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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MoPd by Materials Project

PdMo is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Mo sites. In the first Mo site, Mo is bonded to six equivalent Mo and six equivalent Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with twelve MoMo6Pd6 cuboctahedra, edges with twelve MoMo6Pd6 cuboctahedra, edges with twelve equivalent PdMo6Pd6 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve equivalent PdMo6Pd6 cuboctahedra. All Mo–Mo bond lengths are 2.78 Å. All Mo–Pd bond lengths are 2.82 Å. In the second Mo site, Mo is bonded to six equivalent Mo and six Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with five equivalent PdMo6Pd10 cuboctahedra, corners with twelve MoMo6Pd6 cuboctahedra, edges with ten PdMo6Pd6 cuboctahedra, edges with twelve MoMo6Pd6 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with fifteen PdMo6Pd6 cuboctahedra. All Mo–Mo bond lengths are 2.78 Å. All Mo–Pd bond lengths are 2.82 Å. In the third Mo site, Mo is bonded to six equivalent Mo and six Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with five equivalent PdMo6Pd10 cuboctahedra, corners with twelve MoMo6Pd6 cuboctahedra, edges with ten PdMo6Pd6 cuboctahedra, edges with twelve MoMo6Pd6 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with fifteen PdMo6Pd6 cuboctahedra. All Mo–Mo bond lengths are 2.78 Å. All Mo–Pd bond lengths are 2.82 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Mo and six equivalent Pd atoms to form PdMo6Pd6 cuboctahedra that share corners with twelve PdMo6Pd6 cuboctahedra, edges with twelve MoMo6Pd6 cuboctahedra, edges with twelve PdMo6Pd6 cuboctahedra, faces with six equivalent PdMo6Pd6 cuboctahedra, and faces with twelve MoMo6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.78 Å. In the second Pd site, Pd is bonded to six Mo and ten equivalent Pd atoms to form PdMo6Pd10 cuboctahedra that share corners with ten MoMo6Pd6 cuboctahedra, corners with twelve PdMo6Pd6 cuboctahedra, edges with eight MoMo6Pd6 cuboctahedra, edges with sixteen PdMo6Pd6 cuboctahedra, faces with sixteen equivalent PdMo6Pd10 cuboctahedra, and faces with eighteen MoMo6Pd6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.78–5.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoPd by Materials Project

PdMo is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with eighteen equivalent MoMo6Pd6 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with twelve equivalent PdMo6Pd6 cuboctahedra, faces with eight equivalent MoMo6Pd6 cuboctahedra, and faces with twelve equivalent PdMo6Pd6 cuboctahedra. All Mo–Mo bond lengths are 2.79 Å. All Mo–Pd bond lengths are 2.80 Å. Pd is bonded to six equivalent Mo and six equivalent Pd atoms to form PdMo6Pd6 cuboctahedra that share corners with eighteen equivalent PdMo6Pd6 cuboctahedra, edges with six equivalent PdMo6Pd6 cuboctahedra, edges with twelve equivalent MoMo6Pd6 cuboctahedra, faces with eight equivalent PdMo6Pd6 cuboctahedra, and faces with twelve equivalent MoMo6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoPd2 by Materials Project

MoPd2 is alpha La-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo is bonded to two equivalent Mo and ten equivalent Pd atoms to form MoMo2Pd10 cuboctahedra that share corners with two equivalent MoMo2Pd10 cuboctahedra, corners with ten equivalent PdMo5Pd7 cuboctahedra, edges with twelve equivalent MoMo2Pd10 cuboctahedra, edges with twelve equivalent PdMo5Pd7 cuboctahedra, faces with four equivalent MoMo2Pd10 cuboctahedra, and faces with fourteen equivalent PdMo5Pd7 cuboctahedra. Both Mo–Mo bond lengths are 2.78 Å. All Mo–Pd bond lengths are 2.78 Å. Pd is bonded to five equivalent Mo and seven equivalent Pd atoms to form PdMo5Pd7 cuboctahedra that share corners with five equivalent MoMo2Pd10 cuboctahedra, corners with seven equivalent PdMo5Pd7 cuboctahedra, edges with six equivalent MoMo2Pd10 cuboctahedra, edges with eighteen equivalent PdMo5Pd7 cuboctahedra, faces with seven equivalent MoMo2Pd10 cuboctahedra, and faces with eleven equivalent PdMo5Pd7 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.75–2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo3Pd by Materials Project

Mo3Pd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mo is bonded to eight equivalent Mo and four equivalent Pd atoms to form MoMo8Pd4 cuboctahedra that share corners with twelve equivalent MoMo8Pd4 cuboctahedra, edges with eight equivalent PdMo12 cuboctahedra, edges with sixteen equivalent MoMo8Pd4 cuboctahedra, faces with four equivalent PdMo12 cuboctahedra, and faces with fourteen equivalent MoMo8Pd4 cuboctahedra. All Mo–Mo bond lengths are 2.81 Å. All Mo–Pd bond lengths are 2.81 Å. Pd is bonded to twelve equivalent Mo atoms to form PdMo12 cuboctahedra that share corners with twelve equivalent PdMo12 cuboctahedra, edges with twenty-four equivalent MoMo8Pd4 cuboctahedra, faces with six equivalent PdMo12 cuboctahedra, and faces with twelve equivalent MoMo8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoPd4 by Materials Project

MoPd4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with six equivalent MoMo6Pd6 cuboctahedra, corners with six PdPd12 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdPd12 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve equivalent PdMo3Pd9 cuboctahedra. All Mo–Mo bond lengths are 2.80 Å. All Mo–Pd bond lengths are 2.75 Å. There are six inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent Mo and nine Pd atoms to form PdMo3Pd9 cuboctahedra that share corners with twelve PdMo3Pd9 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdMo3Pd9 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdMo3Pd9 cuboctahedra, and faces with eighteen PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.82 Å) Pd–Pd bond lengths. In the third Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdMo3Pd9 cuboctahedra, and faces with eighteen PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the fourth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdPd12 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–2.84 Å. In the fifth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdPd12 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the sixth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoPd3 by Materials Project

MoPd3 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with six equivalent MoMo6Pd6 cuboctahedra, corners with six equivalent PdPd12 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdMo3Pd9 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve equivalent PdMo3Pd9 cuboctahedra. All Mo–Mo bond lengths are 2.80 Å. All Mo–Pd bond lengths are 2.75 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent Mo and nine Pd atoms to form PdMo3Pd9 cuboctahedra that share corners with twelve equivalent PdMo3Pd9 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdMo3Pd9 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with six equivalent MoMo6Pd6 cuboctahedra, corners with six equivalent PdPd12 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdMo3Pd9 cuboctahedra, and faces with eighteen PdMo3Pd9 cuboctahedra. All Pd–Pd bond lengths are 2.80 Å. In the third Pd site, Pd is bonded to three equivalent Mo and nine Pd atoms to form PdMo3Pd9 cuboctahedra that share corners with seventeen PdMo3Pd9 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with sixteen PdMo3Pd9 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with fifteen PdMo3Pd9 cuboctahedra. All Pd–Mo bond lengths are 2.75 Å. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the fourth Pd site, Pd is bonded to sixteen Pd atoms to form PdPd16 cuboctahedra that share corners with six equivalent MoMo6Pd6 cuboctahedra, corners with sixteen PdMo3Pd9 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdMo3Pd9 cuboctahedra, and faces with thirty-four PdMo3Pd9 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–5.59 Å. In the fifth Pd site, Pd is bonded to three equivalent Mo and nine Pd atoms to form PdMo3Pd9 cuboctahedra that share corners with seventeen PdMo3Pd9 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with sixteen PdMo3Pd9 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with fifteen PdPd16 cuboctahedra. All Pd–Mo bond lengths are 2.75 Å. All Pd–Pd bond lengths are 2.80 Å.

36 MATERIALS SCIENCE↗