Materials Data on Tb2Si5Rh3 by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1189240· OSTI ID:1189240

Tb2Rh3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.99–3.34 Å. There are two inequivalent Rh4+ sites. In the first Rh4+ site, Rh4+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.68 Å. In the second Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.38–2.49 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, three Rh4+, and two Si4- atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Tb4+ and four equivalent Rh4+ atoms. In the third Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Tb4+, three Rh4+, and two equivalent Si4- atoms. In the fourth Si4- site, Si4- is bonded in a 3-coordinate geometry to four equivalent Tb4+, three Rh4+, and two equivalent Si4- 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: 1189240
• Report Number(s): mp-12879
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Rh-Si-Tb
Tb2Si5Rh3
crystal structure