Materials Data on Be3N2 by Materials Project

Abstract

Be3N2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a distorted trigonal planar geometry to four N3- atoms. There is three shorter (1.65 Å) and one longer (2.20 Å) Be–N bond length. In the second Be2+ site, Be2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing BeN4 tetrahedra. There is one shorter (1.66 Å) and three longer (1.85 Å) Be–N bond length. In the third Be2+ site, Be2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing BeN4 tetrahedra. There is one shorter (1.69 Å) and three longer (1.78 Å) Be–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Be2+ atoms to form corner-sharing NBe5 trigonal bipyramids. In the second N3- site, N3- is bonded in a 6-coordinate geometry to seven Be2+ atoms.