Materials Data on RbMg6Co by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1734213· OSTI ID:1734213

RbMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Co atoms to form RbMg10Co2 cuboctahedra that share corners with six equivalent RbMg10Co2 cuboctahedra, edges with four equivalent MgRb2Mg10 cuboctahedra, faces with two equivalent RbMg10Co2 cuboctahedra, and faces with two equivalent MgRb2Mg10 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.21–3.37 Å. Both Rb–Co bond lengths are 3.35 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, six Mg, and one Co atom. There are a spread of Mg–Mg bond distances ranging from 3.18–3.28 Å. The Mg–Co bond length is 2.58 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb, seven Mg, and two equivalent Co atoms. There are a spread of Mg–Mg bond distances ranging from 2.93–3.40 Å. Both Mg–Co bond lengths are 3.03 Å. In the third Mg site, Mg is bonded in a distorted q6 geometry to ten Mg atoms. Both Mg–Mg bond lengths are 3.28 Å. In the fourth Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form distorted MgRb2Mg10 cuboctahedra that share corners with six equivalent MgRb2Mg10 cuboctahedra, edges with four equivalent RbMg10Co2 cuboctahedra, faces with two equivalent RbMg10Co2 cuboctahedra, and faces with two equivalent MgRb2Mg10 cuboctahedra. Co is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.

• 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: 1734213
• Report Number(s): mp-1099288
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Mg-Rb
RbMg6Co
crystal structure