Materials Data on RbLaSi(CN2)4 by Materials Project

Abstract

RbLaSi(CN2)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (3.46 Å) and four longer (3.53 Å) Rb–N bond lengths. La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.55 Å) and four longer (2.71 Å) La–N bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Si–N bond lengths are 1.73 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.20 Å) and one longer (1.27 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one La3+, and one C4+ atom. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one La3+, one Si4+, and one C4+ atom.