Materials Data on Rb3Lu by Materials Project

Dataset · Wed Jul 22 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314683· OSTI ID:1314683

Rb3Lu is beta Cu3Ti-like structured and 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 to eight Rb and four equivalent Lu atoms to form distorted RbRb8Lu4 cuboctahedra that share corners with twelve equivalent RbRb8Lu4 cuboctahedra, edges with eight equivalent LuRb12 cuboctahedra, edges with sixteen RbRb8Lu4 cuboctahedra, faces with four equivalent LuRb12 cuboctahedra, and faces with fourteen RbRb8Lu4 cuboctahedra. There are four shorter (4.49 Å) and four longer (4.57 Å) Rb–Rb bond lengths. All Rb–Lu bond lengths are 4.57 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Lu atoms to form distorted RbRb8Lu4 cuboctahedra that share corners with four equivalent RbRb8Lu4 cuboctahedra, corners with eight equivalent LuRb12 cuboctahedra, edges with twenty-four RbRb8Lu4 cuboctahedra, faces with six equivalent LuRb12 cuboctahedra, and faces with twelve RbRb8Lu4 cuboctahedra. All Rb–Lu bond lengths are 4.49 Å. Lu is bonded to twelve Rb atoms to form LuRb12 cuboctahedra that share corners with four equivalent LuRb12 cuboctahedra, corners with eight equivalent RbRb8Lu4 cuboctahedra, edges with eight equivalent LuRb12 cuboctahedra, edges with sixteen equivalent RbRb8Lu4 cuboctahedra, faces with four equivalent LuRb12 cuboctahedra, and faces with fourteen RbRb8Lu4 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1314683
• Report Number(s): mp-974966
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Lu-Rb
Rb3Lu
crystal structure