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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2IN3 by Materials Project

Rb2N3I crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to four equivalent N+0.33- and four equivalent I1- atoms. All Rb–N bond lengths are 3.17 Å. All Rb–I bond lengths are 3.86 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one N+0.33- atom. I1- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbI4N3 by Materials Project

RbN3I4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded to six I1- atoms to form corner-sharing RbI6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.07 Å) and two longer (3.84 Å) Rb–I bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a rectangular see-saw-like geometry to four equivalent I1- atoms. All N–I bond lengths are 3.07 Å. In the second N1+ site, N1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All N–I bond lengths are 3.07 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to two equivalent Rb1+ and two equivalent N1+ atoms. In the second I1- site, I1- is bonded to one Rb1+ and four equivalent N1+ atoms to form a mixture of corner and edge-sharing IRbN4 square pyramids.

36 MATERIALS SCIENCE↗