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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nb3Cr by Materials Project

Nb3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Cr atoms. All Nb–Nb bond lengths are 2.79 Å. All Nb–Cr bond lengths are 2.79 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Nb and six equivalent Cr atoms. All Nb–Cr bond lengths are 3.22 Å. Cr is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb3Cr by Materials Project

Nb3Cr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted square co-planar geometry to eight equivalent Nb and four equivalent Cr atoms. All Nb–Nb bond lengths are 3.05 Å. All Nb–Cr bond lengths are 2.68 Å. In the second Nb site, Nb is bonded to eight Nb and four equivalent Cr atoms to form NbNb8Cr4 cuboctahedra that share corners with twelve equivalent NbNb8Cr4 cuboctahedra, edges with eight equivalent NbNb8Cr4 cuboctahedra, edges with eight equivalent CrNb12 cuboctahedra, faces with four equivalent CrNb12 cuboctahedra, and faces with ten equivalent NbNb8Cr4 cuboctahedra. All Nb–Nb bond lengths are 2.68 Å. All Nb–Cr bond lengths are 3.05 Å. Cr is bonded to twelve Nb atoms to form CrNb12 cuboctahedra that share corners with four equivalent CrNb12 cuboctahedra, edges with eight equivalent CrNb12 cuboctahedra, edges with sixteen equivalent NbNb8Cr4 cuboctahedra, faces with four equivalent CrNb12 cuboctahedra, and faces with eight equivalent NbNb8Cr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb3Cr by Materials Project

Nb3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to eight equivalent Nb and four equivalent Cr atoms to form NbNb8Cr4 cuboctahedra that share corners with twelve equivalent NbNb8Cr4 cuboctahedra, edges with eight equivalent CrNb12 cuboctahedra, edges with sixteen equivalent NbNb8Cr4 cuboctahedra, faces with four equivalent CrNb12 cuboctahedra, and faces with fourteen equivalent NbNb8Cr4 cuboctahedra. All Nb–Nb bond lengths are 2.92 Å. All Nb–Cr bond lengths are 2.92 Å. Cr is bonded to twelve equivalent Nb atoms to form CrNb12 cuboctahedra that share corners with twelve equivalent CrNb12 cuboctahedra, edges with twenty-four equivalent NbNb8Cr4 cuboctahedra, faces with six equivalent CrNb12 cuboctahedra, and faces with twelve equivalent NbNb8Cr4 cuboctahedra.

36 MATERIALS SCIENCE↗