Materials Data on NaBeAs by Materials Project
NaBeAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded to six equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing NaAs6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Na–As bond lengths are 3.16 Å. Be2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Be–As bond lengths are 2.22 Å. As3- is bonded in a distorted trigonal planar geometry to six equivalent Na1+ and three equivalent Be2+ atoms.
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