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DOE OSTI2020

Materials Data on Cr11Ni40Mo9 by Materials Project

Mo9Cr11Ni40 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Mo sites. In the first Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Mo–Mo bond length is 2.59 Å. The Mo–Cr bond length is 2.50 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.62 Å. In the second Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with four MoCrNi10Mo cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with four CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are one shorter (2.58 Å) and one longer (2.62 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.48–2.58 Å. In the third Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Mo–Mo bond length is 2.59 Å. The Mo–Cr bond length is 2.56 Å. There are a spread of Mo–Ni bond distances ranging from 2.52–2.65 Å. In the fourth Mo site, Mo is bonded to two Mo and ten Ni atoms to form MoNi10Mo2 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are a spread of Mo–Ni bond distances ranging from 2.53–2.60 Å. In the fifth Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with four CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.63 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.49–2.59 Å. In the sixth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with five MoCrNi10Mo cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Mo bond length is 2.57 Å. The Mo–Cr bond length is 2.54 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.62 Å. In the seventh Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five MoCrNi10Mo cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Mo bond length is 2.58 Å. The Mo–Cr bond length is 2.51 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.60 Å. In the eighth Mo site, Mo is bonded to two Mo and ten Ni atoms to form MoNi10Mo2 cuboctahedra that share corners with two CrNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are a spread of Mo–Ni bond distances ranging from 2.53–2.60 Å. In the ninth Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with five MoCrNi10Mo cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCrNi10Mo cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are one shorter (2.51 Å) and one longer (2.62 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.53–2.57 Å. There are eleven inequivalent Cr sites. In the first Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share a cornercorner with one MoNi10Mo2 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with six MoCrNi10Mo cuboctahedra, edges with six CrCr2Ni10 cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Cr–Cr bond length is 2.46 Å. There are a spread of Cr–Ni bond distances ranging from 2.46–2.61 Å. In the second Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with six MoCrNi10Mo cuboctahedra, edges with six CrCr2Ni10 cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Cr–Cr bond length is 2.48 Å. There are a spread of Cr–Ni bond distances ranging from 2.47–2.59 Å. In the third Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two MoCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with five MoCrNi10Mo cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with two MoCr2Ni10 cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.49–2.54 Å. In the fourth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with six MoCrNi10Mo cuboctahedra, edges with six CrCrNi10Mo cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, faces with two MoCr2Ni10 cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Cr–Cr bond length is 2.38 Å. There are a spread of Cr–Ni bond distances ranging from 2.48–2.60 Å. In the fifth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Cr–Cr bond length is 2.44 Å. There are a spread of Cr–Ni bond distances ranging from 2.45–2.61 Å. In the sixth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with two MoCr2Ni10 cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.47–2.60 Å. In the seventh Cr site, Cr is bonded to two Cr and ten Ni atoms to form distorted CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Cr–Cr bond length is 2.57 Å. There are a spread of Cr–Ni bond distances ranging from 2.46–2.54 Å. In the eighth Cr site, Cr is bonded to two Cr and ten Ni atoms to form distorted CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with four MoCrNi10Mo cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Cr–Cr bond length is 2.43 Å. There are a spread of Cr–Ni bond distances ranging from 2.47–2.55 Å. In the ninth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with six MoCrNi10Mo cuboctahedra, edges with six CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.44–2.61 Å. In the tenth Cr site, Cr is bonded to two Mo and ten Ni atoms to form CrNi10Mo2 cuboctahedra that share corners with two MoNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with six MoCrNi10Mo cuboctahedra, edges with six CrCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with four MoCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.53–2.57 Å. In the eleventh Cr site, Cr is bonded to two Mo and ten Ni atoms to form CrNi10Mo2 cuboctahedra that share a cornercorner with one MoNi10Mo2 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.49–2.59 Å. There are forty inequivalent Ni sites. In the first Ni site, Ni is bonded to four Mo, one Cr, and seven Ni atoms to form distorted NiCrNi7Mo4 cuboctahedra that share corners with five CrCrNi10Mo cuboctahedra, corners with seven NiCr3Ni7Mo2 cuboctahedra, edges with three MoCrNi10Mo cuboctahedra, edges with three CrCrNi10Mo cuboctahedra, edg

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr8Ni50Mo17 by Materials Project

Mo17Cr8Ni50 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seventeen inequivalent Mo sites. In the first Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with two CrNi10Mo2 cuboctahedra, edges with ten MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one MoNi10Mo2 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.64 Å. The Mo–Cr bond length is 2.50 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.62 Å. In the second Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with four CrCrNi10Mo cuboctahedra, edges with eight MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with two MoNi10Mo2 cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.64 Å. The Mo–Cr bond length is 2.50 Å. There are a spread of Mo–Ni bond distances ranging from 2.52–2.63 Å. In the third Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with two CrCrNi10Mo cuboctahedra, edges with ten MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with two MoNi10Mo2 cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are one shorter (2.58 Å) and one longer (2.65 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.54–2.58 Å. In the fourth Mo site, Mo is bonded to two Mo and ten Ni atoms to form distorted MoNi10Mo2 cuboctahedra that share a cornercorner with one MoNi10Mo2 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five MoNi10Mo2 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with four MoCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Mo–Mo bond length is 2.58 Å. There are a spread of Mo–Ni bond distances ranging from 2.55–2.63 Å. In the fifth Mo site, Mo is bonded to two Mo and ten Ni atoms to form MoNi10Mo2 cuboctahedra that share corners with two MoNi10Mo2 cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with four CrCrNi10Mo cuboctahedra, edges with eight MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with two MoNi10Mo2 cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.57 Å. There are a spread of Mo–Ni bond distances ranging from 2.55–2.61 Å. In the sixth Mo site, Mo is bonded to two Mo and ten Ni atoms to form MoNi10Mo2 cuboctahedra that share corners with two MoNi10Mo2 cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoCr2Ni10 cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.57 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.62 Å. In the seventh Mo site, Mo is bonded to two Mo and ten Ni atoms to form distorted MoNi10Mo2 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with four CrCrNi10Mo cuboctahedra, edges with eight MoNi10Mo2 cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with four MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.65 Å. There are a spread of Mo–Ni bond distances ranging from 2.52–2.61 Å. In the eighth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with three CrNi10Mo2 cuboctahedra, edges with nine MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with two MoNi10Mo2 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Cr bond length is 2.57 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.65 Å. In the ninth Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiNi7Mo5 cuboctahedra, edges with two CrCrNi10Mo cuboctahedra, edges with ten MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one MoNi10Mo2 cuboctahedra, faces with three CrNi10Mo2 cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.58 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.53–2.58 Å. In the tenth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.64 Å. The Mo–Cr bond length is 2.57 Å. There are a spread of Mo–Ni bond distances ranging from 2.54–2.65 Å. In the eleventh Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Mo bond length is 2.71 Å. The Mo–Cr bond length is 2.50 Å. There are a spread of Mo–Ni bond distances ranging from 2.54–2.65 Å. In the twelfth Mo site, Mo is bonded to two Mo and ten Ni atoms to form distorted MoNi10Mo2 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with three CrCrNi10Mo cuboctahedra, edges with nine MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with four MoCrNi10Mo cuboctahedra, and faces with fourteen NiNi7Mo5 cuboctahedra. The Mo–Mo bond length is 2.66 Å. There are a spread of Mo–Ni bond distances ranging from 2.54–2.60 Å. In the thirteenth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with four CrCrNi10Mo cuboctahedra, edges with eight MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Cr bond length is 2.51 Å. There are a spread of Mo–Ni bond distances ranging from 2.54–2.64 Å. In the fourteenth Mo site, Mo is bonded to two Mo and ten Ni atoms to form MoNi10Mo2 cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with four CrNi10Mo2 cuboctahedra, edges with eight MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.60 Å. There are a spread of Mo–Ni bond distances ranging from 2.55–2.61 Å. In the fifteenth Mo site, Mo is bonded to two Mo and ten Ni atoms to form distorted MoNi10Mo2 cuboctahedra that share a cornercorner with one MoNi10Mo2 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with four CrNi10Mo2 cuboctahedra, edges with eight MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with four MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.64 Å. There are a spread of Mo–Ni bond distances ranging from 2.54–2.63 Å. In the sixteenth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoNi10Mo2 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Cr bond length is 2.56 Å. There are a spread of Mo–Ni bond distances ranging from 2.54–2.64 Å. In the seventeenth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with three CrNi10Mo2 cuboctahedra, edges with nine MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with two MoNi10Mo2 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Cr bond length is 2.49 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.62 Å. There are eight inequivalent Cr sites. In the first Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with four CrCrNi10Mo cuboctahedra, edges with eight MoNi10Mo2 cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Cr–Cr bond length is 2.42 Å. There are a spread of Cr–Ni bond distances ranging from 2.49–2.59 Å. In the second Cr site, Cr is bonded to two Mo and ten Ni atoms to form CrNi10Mo2 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with three CrCrNi10Mo cuboctahedra, edges with nine MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, faces with four MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.49–2.58 Å. In the third Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two MoNi10Mo2 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Cr–Cr bond length is 2.43 Å. There are a spread of Cr–Ni bond distances ranging from 2.49–2.61 Å. In the fourth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra t

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr22Ni50Mo3 by Materials Project

Mo3Cr22Ni50 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Mo sites. In the first Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are one shorter (2.54 Å) and one longer (2.56 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.52–2.56 Å. In the second Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are one shorter (2.51 Å) and one longer (2.56 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.53–2.56 Å. In the third Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are one shorter (2.50 Å) and one longer (2.56 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.53–2.56 Å. There are twenty-two inequivalent Cr sites. In the first Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with three MoCr2Ni10 cuboctahedra, edges with nine CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. The Cr–Cr bond length is 2.45 Å. There are a spread of Cr–Ni bond distances ranging from 2.48–2.57 Å. In the second Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with twelve CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. The Cr–Cr bond length is 2.50 Å. There are a spread of Cr–Ni bond distances ranging from 2.49–2.52 Å. In the third Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Cr–Cr bond length is 2.50 Å. There are a spread of Cr–Ni bond distances ranging from 2.50–2.52 Å. In the fourth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.50 Å) Cr–Cr bond lengths. There are a spread of Cr–Ni bond distances ranging from 2.48–2.53 Å. In the fifth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.48–2.53 Å. In the sixth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. The Cr–Cr bond length is 2.52 Å. There are a spread of Cr–Ni bond distances ranging from 2.47–2.53 Å. In the seventh Cr site, Cr is bonded to two Cr and ten Ni atoms to form distorted CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are one shorter (2.47 Å) and one longer (2.54 Å) Cr–Cr bond lengths. There are a spread of Cr–Ni bond distances ranging from 2.46–2.53 Å. In the eighth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.46–2.53 Å. In the ninth Cr site, Cr is bonded to two Cr and ten Ni atoms to form distorted CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. The Cr–Cr bond length is 2.48 Å. There are a spread of Cr–Ni bond distances ranging from 2.47–2.53 Å. In the tenth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are one shorter (2.50 Å) and one longer (2.51 Å) Cr–Cr bond lengths. There are a spread of Cr–Ni bond distances ranging from 2.48–2.52 Å. In the eleventh Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.46–2.52 Å. In the twelfth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with twelve CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Cr–Cr bond length is 2.50 Å. There are a spread of Cr–Ni bond distances ranging from 2.48–2.51 Å. In the thirteenth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are one shorter (2.50 Å) and one longer (2.51 Å) Cr–Cr bond lengths. There are a spread of Cr–Ni bond distances ranging from 2.49–2.52 Å. In the fourteenth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with twelve CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.47–2.52 Å. In the fifteenth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Cr–Cr bond length is 2.45 Å. There are a spread of Cr–Ni bond distances ranging from 2.48–2.53 Å. In the sixteenth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with three MoCr2Ni10 cuboctahedra, edges with nine CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.48–2.58 Å. In the seventeenth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. The Cr–Cr bond length is 2.46 Å. There are a spread of Cr–Ni bond distances ranging from 2.48–2.58 Å. In the eighteenth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr5Ni7 cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrCrNi10Mo cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.50 Å) Cr–Cr bond lengths. There are a spread of Cr–Ni bond distances ranging from 2.48–2.52 Å. In the nineteenth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.49–2.52 Å. In the twentieth Cr site, Cr is bonded

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr7Ni20Mo3 by Materials Project

Mo3Cr7Ni20 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Mo sites. In the first Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrNi10Mo2 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCrNi10Mo cuboctahedra, faces with three CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.60 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.54–2.58 Å. In the second Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, an edgeedge with one MoCr2Ni10 cuboctahedra, edges with eleven CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr5Ni7 cuboctahedra. There are one shorter (2.57 Å) and one longer (2.58 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.53–2.58 Å. In the third Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with three MoCr2Ni10 cuboctahedra, edges with nine CrNi10Mo2 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are one shorter (2.58 Å) and one longer (2.60 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.53–2.59 Å. In the fourth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with three MoNi10Mo2 cuboctahedra, edges with nine CrNi10Mo2 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Mo bond length is 2.60 Å. The Mo–Cr bond length is 2.53 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.64 Å. In the fifth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with three MoCr2Ni10 cuboctahedra, edges with nine CrNi10Mo2 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.61 Å. The Mo–Cr bond length is 2.53 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.63 Å. In the sixth Mo site, Mo is bonded to two Mo and ten Ni atoms to form MoNi10Mo2 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrNi10Mo2 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are a spread of Mo–Ni bond distances ranging from 2.54–2.60 Å. In the seventh Mo site, Mo is bonded to two Cr and ten Ni atoms to form MoCr2Ni10 cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with three MoCr2Ni10 cuboctahedra, edges with nine CrCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCrNi10Mo cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are one shorter (2.53 Å) and one longer (2.58 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.55–2.58 Å. In the eighth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with six MoCr2Ni10 cuboctahedra, edges with six CrNi10Mo2 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with two MoCr2Ni10 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Mo bond length is 2.65 Å. The Mo–Cr bond length is 2.49 Å. There are a spread of Mo–Ni bond distances ranging from 2.54–2.62 Å. In the ninth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrCr2Ni10 cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, faces with two MoCr2Ni10 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Cr bond length is 2.50 Å. There are a spread of Mo–Ni bond distances ranging from 2.53–2.62 Å. There are twenty-one inequivalent Cr sites. In the first Cr site, Cr is bonded to two Mo and ten Ni atoms to form CrNi10Mo2 cuboctahedra that share a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with six MoCr2Ni10 cuboctahedra, edges with six CrCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoCr2Ni10 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.49–2.57 Å. In the second Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Cr–Cr bond length is 2.48 Å. There are a spread of Cr–Ni bond distances ranging from 2.50–2.57 Å. In the third Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with two MoCr2Ni10 cuboctahedra, edges with ten CrNi10Mo2 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. The Cr–Cr bond length is 2.54 Å. There are a spread of Cr–Ni bond distances ranging from 2.51–2.55 Å. In the fourth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are one shorter (2.52 Å) and one longer (2.54 Å) Cr–Cr bond lengths. There are a spread of Cr–Ni bond distances ranging from 2.48–2.56 Å. In the fifth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with four CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.50–2.56 Å. In the sixth Cr site, Cr is bonded to two Cr and ten Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrCr2Ni10 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, faces with four CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. The Cr–Cr bond length is 2.53 Å. There are a spread of Cr–Ni bond distances ranging from 2.49–2.55 Å. In the seventh Cr site, Cr is bonded to two Cr and ten Ni atoms to form distorted CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are one shorter (2.48 Å) and one longer (2.57 Å) Cr–Cr bond lengths. There are a spread of Cr–Ni bond distances ranging from 2.49–2.55 Å. In the eighth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with three MoCr2Ni10 cuboctahedra, edges with nine CrCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.48–2.60 Å. In the ninth Cr site, Cr is bonded to two Cr and ten Ni atoms to form distorted CrCr2Ni10 cuboctahedra that share a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with three MoCr2Ni10 cuboctahedra, edges with nine CrNi10Mo2 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. The Cr–Cr bond length is 2.45 Å. There are a spread of Cr–Ni bond distances ranging from 2.50–2.55 Å. In the tenth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCr2Ni10 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrNi10Mo2 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr4Ni7Mo cuboctahedra. There are a spread of Cr–Ni bond distances ranging from 2.49–2.59 Å. In the eleventh Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with four MoCr2Ni10 cuboctahedra, edges with eight CrNi10Mo2 cuboctahedra, edges with twelve NiCr5Ni7 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Cr–Cr bond length is 2.48 Å. There are a spread of Cr–Ni bond distances ranging from 2.49–2.60 Å. In the twelfth Cr site, Cr is bonded to one Mo, one Cr, and ten Ni atoms to form distorted CrCrNi10Mo cuboctahedra that share a cornercorner with one MoNi10Mo2 cuboctahedra, a cornercorner with

36 MATERIALS SCIENCE↗