Materials Data on Ho2As7Rh12 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1741080· OSTI ID:1741080

Ho2Rh12As7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Ho is bonded to six equivalent Rh and six equivalent As atoms to form distorted HoAs6Rh6 cuboctahedra that share corners with twelve equivalent RhAs4 tetrahedra, edges with three equivalent RhAs4 tetrahedra, and faces with two equivalent HoAs6Rh6 cuboctahedra. There are three shorter (3.14 Å) and three longer (3.15 Å) Ho–Rh bond lengths. There are three shorter (3.11 Å) and three longer (3.12 Å) Ho–As bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Ho and four equivalent As atoms. There are a spread of Rh–As bond distances ranging from 2.43–2.64 Å. In the second Rh site, Rh is bonded to four As atoms to form distorted RhAs4 tetrahedra that share corners with four equivalent HoAs6Rh6 cuboctahedra, corners with seven equivalent RhAs4 tetrahedra, an edgeedge with one HoAs6Rh6 cuboctahedra, and edges with two equivalent RhAs4 tetrahedra. There are a spread of Rh–As bond distances ranging from 2.46–2.54 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to two equivalent Ho and seven Rh 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: 1741080
• Report Number(s): mp-1224190
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-Ho-Rh
Ho2As7Rh12
crystal structure