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Materials Data on Rb2In3 by Materials Project

Rb2In3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to five Rb and nine In atoms. There are one shorter (3.55 Å) and four longer (4.17 Å) Rb–Rb bond lengths. There are one shorter (3.92 Å) and eight longer (4.18 Å) Rb–In bond lengths. In the second Rb site, Rb is bonded in a 4-coordinate geometry to four equivalent Rb and eight In atoms. There are four shorter (3.88 Å) and four longer (4.28 Å) Rb–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Rb and five In atoms. There are a spread of In–In bond distances ranging from 2.87–3.15 Å. In the second In site, In is bonded in a 9-coordinate geometry to five Rb and four equivalent In atoms.

36 MATERIALS SCIENCE↗

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↗