Results for “Pr3(BN2)2”

Materials Data on Pr3(BN2)2 by Materials Project

Pr3B2N4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr4+ sites. In the first Pr4+ site, Pr4+ is bonded to six equivalent N3- atoms to form distorted edge-sharing PrN6 pentagonal pyramids. There are two shorter (2.51 Å) and four longer (2.59 Å) Pr–N bond lengths. In the second Pr4+ site, Pr4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Pr–N bond lengths are 2.71 Å. B is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- is bonded in a distorted single-bond geometry to five Pr4+ and one B atom.