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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy2NiAs2 by Materials Project

Dy2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Dy–Ni bond lengths are 3.04 Å. There are three shorter (2.90 Å) and three longer (3.04 Å) Dy–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent As atoms. All Ni–As bond lengths are 2.36 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Ni atoms. In the second As site, As is bonded to six equivalent Dy atoms to form edge-sharing AsDy6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2NiAs2 by Materials Project

Dy2NiAs2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Dy–Ni bond lengths are 2.95 Å. There are three shorter (2.89 Å) and three longer (3.07 Å) Dy–As bond lengths. In the second Dy site, Dy is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Dy–Ni bond lengths are 3.13 Å. There are three shorter (2.91 Å) and three longer (3.01 Å) Dy–As bond lengths. Ni is bonded in a 3-coordinate geometry to six Dy and three equivalent As atoms. All Ni–As bond lengths are 2.38 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to six Dy and three equivalent Ni atoms. In the second As site, As is bonded to six Dy atoms to form edge-sharing AsDy6 octahedra.

36 MATERIALS SCIENCE↗