DOI: 10.17188/1300812
title: Materials Data on Cr11Ni40Mo9 by Materials Project

description: Mo9Cr11Ni40 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eighteen 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 NiCr2Ni7Mo3 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 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 2.50–2.56 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 MoCrNi10Mo cuboctahedra, a cornercorner with one CrCrNi10Mo cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, a faceface with one MoCr2Ni10 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.56 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.51–2.56 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 corners with two CrNi10Mo2 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five MoCr2Ni10 cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, a faceface with one MoCrNi10Mo cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Mo bond length is 2.61 Å. The Mo–Cr bond length is 2.51 Å. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 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 CrCrNi10Mo cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with four CrCrNi10Mo cuboctahedra, edges with eight MoCr2Ni10 cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Mo bond length is 2.57 Å. The Mo–Cr bond length is 2.51 Å. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 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 CrCrNi10Mo cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCr2Ni10 cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, faces with two MoCrNi10Mo cuboctahedra, faces with two CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 cuboctahedra. The Mo–Cr bond length is 2.48 Å. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 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 NiCr2Ni7Mo3 cuboctahedra, edges with six MoCrNi10Mo cuboctahedra, edges with six CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.58 Å. There are a spread of Mo–Ni bond distances ranging from 2.52–2.57 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 a cornercorner with one MoCrNi10Mo cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with six MoCr2Ni10 cuboctahedra, edges with six CrCrNi10Mo cuboctahedra, edges with twelve NiCrNi7Mo4 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoNi10Mo2 cuboctahedra, and faces with fourteen NiNi7Mo5 cuboctahedra. The Mo–Cr bond length is 2.52 Å. There are a spread of Mo–Ni bond distances ranging from 2.52–2.59 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 corners with two MoCrNi10Mo cuboctahedra, corners with ten NiCr4Ni7Mo 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 NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.58 Å. The Mo–Cr bond length is 2.47 Å. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 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 MoCr2Ni10 cuboctahedra, corners with ten NiCr3Ni7Mo2 cuboctahedra, edges with three MoCrNi10Mo cuboctahedra, edges with nine CrCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, a faceface with one MoCrNi10Mo cuboctahedra, faces with three CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.53 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.53–2.56 Å. In the tenth 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 NiCr2Ni7Mo3 cuboctahedra, edges with five MoCrNi10Mo cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, a faceface with one CrNi10Mo2 cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. There are one shorter (2.57 Å) and one longer (2.58 Å) Mo–Mo bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.51–2.57 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 MoCrNi10Mo cuboctahedra, a cornercorner with one CrCr2Ni10 cuboctahedra, corners with ten NiCr4Ni7Mo cuboctahedra, edges with four MoCrNi10Mo cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, faces with two MoCr2Ni10 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Mo–Cr bond length is 2.51 Å. There are a spread of Mo–Ni bond distances ranging from 2.52–2.59 Å. In the twelfth Mo site, Mo is bonded to one Mo, one Cr, and ten Ni atoms to form distorted MoCrNi10Mo cuboctahedra that share corners with two MoCr2Ni10 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with five MoCrNi10Mo cuboctahedra, edges with seven CrCrNi10Mo cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, faces with two MoNi10Mo2 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Cr bond length is 2.48 Å. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 Å. In the thirteenth 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 NiCr2Ni7Mo3 cuboctahedra, edges with five CrNi10Mo2 cuboctahedra, edges with seven MoCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, faces with two MoNi10Mo2 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.56 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.51–2.55 Å. In the fourteenth 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 four MoCr2Ni10 cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, a faceface with one MoNi10Mo2 cuboctahedra, faces with three CrCrNi10Mo cuboctahedra, and faces with fourteen NiCrNi7Mo4 cuboctahedra. The Mo–Mo bond length is 2.57 Å. The Mo–Cr bond length is 2.50 Å. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 Å. In the fifteenth 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 MoCrNi10Mo cuboctahedra, edges with seven CrNi10Mo2 cuboctahedra, edges with twelve NiCr3Ni7Mo2 cuboctahedra, faces with four CrCrNi10Mo cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. There are one shorter (2.55 Å) and one longer (2.56 Å) Mo–Cr bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.51–2.55 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 MoCr2Ni10 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with four MoNi10Mo2 cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCrNi10Mo cuboctahedra, faces with three CrCr2Ni10 cuboctahedra, and faces with fourteen NiCr3Ni7Mo2 cuboctahedra. The Mo–Mo bond length is 2.63 Å. The Mo–Cr bond length is 2.47 Å. There are a spread of Mo–Ni bond distances ranging from 2.50–2.59 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 a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCr2Ni7Mo3 cuboctahedra, edges with four MoCrNi10Mo cuboctahedra, edges with eight CrCrNi10Mo cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, a faceface with one MoCrNi10Mo cuboctahedra, faces with three CrNi10Mo2 cuboctahedra, and faces with fourteen NiNi7Mo5 cuboctahedra. The Mo–Cr bond length is 2.47 Å. There are a spread of Mo–Ni bond distances ranging from 2.50–2.59 Å. In the eighteenth 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 NiCr4Ni7Mo cuboctahedra, edges with six MoCr2Ni10 cuboctahedra, edges with six CrCrNi10Mo cuboctahedra, edges with twelve NiCr2Ni7Mo3 cuboctahedra, a faceface with one CrCrNi10Mo cuboctahedra, faces with three MoCrNi10Mo cuboctahedra, and faces with fourteen NiNi7Mo5 cuboctahedra. There are a spread of Mo–Ni bond distances ranging from 2.51–2.57 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 a cornercorner with one MoCr2Ni10 cuboctahedra, a cornercorner with one CrNi10Mo2 cuboctahedra, corners with ten NiCrNi7Mo4 cuboctahedra, edges with five CrCrNi10Mo cuboctahedra, edges with seven MoCr2Ni10 cuboctahedra, edges with twelve NiCr4Ni7Mo cuboctahedra, faces with two MoCr2Ni10 cuboctahedra, faces with two CrNi10Mo2 cuboctahedra, and faces with fourteen NiCr2Ni7Mo3 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 one Mo, one Cr, and ten Ni atoms to form CrCrNi10Mo cuboctahedra that share corners with two CrNi10Mo2 cuboctahed