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Materials Data on NdAs2 by Materials Project

NdAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Nd–As bond distances ranging from 3.02–3.23 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Nd3+ and one As+1.50- atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. The As–As bond length is 2.51 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two As+1.50- atoms. The As–As bond length is 2.54 Å.

36 MATERIALS SCIENCE↗

Materials Data on NdAs by Materials Project

NdAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing NdAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–As bond lengths are 3.02 Å. As3- is bonded to six equivalent Nd3+ atoms to form a mixture of edge and corner-sharing AsNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on NdAs by Materials Project

NdAs is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Nd–As bond lengths are 3.20 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Nd3+ atoms.

36 MATERIALS SCIENCE↗