Materials Data on Cr8Ni50Mo17 by Materials Project

Abstract

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