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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cr2As by Materials Project

Cr2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to five equivalent As atoms to form a mixture of distorted edge and corner-sharing CrAs5 square pyramids. There are one shorter (2.44 Å) and four longer (2.54 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent As atoms. All Cr–As bond lengths are 2.51 Å. As is bonded in a 9-coordinate geometry to nine Cr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr2As by Materials Project

Cr2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.56 Å) and four longer (2.67 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded to four As atoms to form a mixture of distorted edge and corner-sharing CrAs4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Cr–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to nine Cr atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Cr atoms.

36 MATERIALS SCIENCE↗