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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb3Er by Materials Project

Rb3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Er atoms to form distorted RbRb8Er4 cuboctahedra that share corners with four equivalent ErRb12 cuboctahedra, corners with fourteen equivalent RbRb8Er4 cuboctahedra, edges with six equivalent ErRb12 cuboctahedra, edges with twelve equivalent RbRb8Er4 cuboctahedra, faces with four equivalent ErRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Er4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.36–4.74 Å. There are two shorter (4.47 Å) and two longer (4.55 Å) Rb–Er bond lengths. Er is bonded to twelve equivalent Rb atoms to form ErRb12 cuboctahedra that share corners with six equivalent ErRb12 cuboctahedra, corners with twelve equivalent RbRb8Er4 cuboctahedra, edges with eighteen equivalent RbRb8Er4 cuboctahedra, faces with eight equivalent ErRb12 cuboctahedra, and faces with twelve equivalent RbRb8Er4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Er by Materials Project

Rb3Er is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Er atoms to form distorted RbRb8Er4 cuboctahedra that share corners with twelve equivalent RbRb8Er4 cuboctahedra, edges with eight equivalent ErRb12 cuboctahedra, edges with sixteen equivalent RbRb8Er4 cuboctahedra, faces with four equivalent ErRb12 cuboctahedra, and faces with fourteen equivalent RbRb8Er4 cuboctahedra. All Rb–Rb bond lengths are 4.55 Å. All Rb–Er bond lengths are 4.55 Å. Er is bonded to twelve equivalent Rb atoms to form ErRb12 cuboctahedra that share corners with twelve equivalent ErRb12 cuboctahedra, edges with twenty-four equivalent RbRb8Er4 cuboctahedra, faces with six equivalent ErRb12 cuboctahedra, and faces with twelve equivalent RbRb8Er4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Er by Materials Project

Rb3Er is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Er atoms. All Rb–Rb bond lengths are 4.42 Å. All Rb–Er bond lengths are 4.42 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Er is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗