Materials Data on YbB4Os by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1311080· OSTI ID:1311080

YbOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb2+ is bonded in a 2-coordinate geometry to four equivalent Os2- and fourteen B atoms. There are a spread of Yb–Os bond distances ranging from 3.02–3.10 Å. There are a spread of Yb–B bond distances ranging from 2.62–2.76 Å. Os2- is bonded in a 10-coordinate geometry to four equivalent Yb2+, one Os2-, and ten B atoms. The Os–Os bond length is 2.60 Å. There are a spread of Os–B bond distances ranging from 2.27–2.37 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. There are a spread of B–B bond distances ranging from 1.75–1.85 Å. In the second B site, B is bonded in a 5-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. The B–B bond length is 1.84 Å. In the third B site, B is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. There is one shorter (1.74 Å) and one longer (1.77 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to two equivalent Yb2+, four equivalent Os2-, and three B atoms. The B–B bond length is 1.74 Å.

• 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: 1311080
• Report Number(s): mp-865902
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-Os-Yb
YbB4Os
crystal structure