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DOE OSTI2020

Materials Data on RbN3 by Materials Project

RbN3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. All Rb–N bond lengths are 3.18 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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbN3 by Materials Project

RbN3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent N+0.33- atoms. All Rb–N bond lengths are 3.20 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbN by Materials Project

RbN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent N1- atoms to form a mixture of corner and edge-sharing RbN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–N bond lengths are 3.06 Å. N1- is bonded to six equivalent Rb1+ atoms to form a mixture of corner and edge-sharing NRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbN by Materials Project

RbN is Halite, Rock Salt-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent N1- atoms to form a mixture of edge and corner-sharing RbN6 octahedra. The corner-sharing octahedra tilt angles range from 1–9°. There are a spread of Rb–N bond distances ranging from 3.00–3.14 Å. N1- is bonded to six equivalent Rb1+ atoms to form a mixture of edge and corner-sharing NRb6 octahedra. The corner-sharing octahedra tilt angles range from 1–9°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbN by Materials Project

RbN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent N1- atoms. All Rb–N bond lengths are 3.14 Å. N1- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbN by Materials Project

RbN is Halite, Rock Salt structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent N1- atoms to form a mixture of edge and corner-sharing RbN6 octahedra. The corner-sharing octahedra tilt angles range from 1–8°. There are a spread of Rb–N bond distances ranging from 3.03–3.12 Å. N1- is bonded to six equivalent Rb1+ atoms to form a mixture of edge and corner-sharing NRb6 octahedra. The corner-sharing octahedra tilt angles range from 1–8°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbN by Materials Project

RbN is Halite, Rock Salt structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent N1- atoms to form a mixture of corner and edge-sharing RbN6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (3.02 Å) and four longer (3.09 Å) Rb–N bond lengths. N1- is bonded to six equivalent Rb1+ atoms to form a mixture of corner and edge-sharing NRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.

36 MATERIALS SCIENCE↗