Materials Data on La2Al(BOs)2 by Materials Project
La2Al(OsB)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to one Os+1.50- and five B3- atoms. The La–Os bond length is 3.20 Å. There are a spread of La–B bond distances ranging from 2.77–3.03 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of La–B bond distances ranging from 2.88–3.11 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded in a 5-coordinate geometry to three equivalent Al3+ and two B3- atoms. There are a spread of Os–Al bond distances ranging from 2.65–2.77 Å. There are one shorter (2.02 Å) and one longer (2.13 Å) Os–B bond lengths. In the second Os+1.50- site, Os+1.50- is bonded in a 4-coordinate geometry to one La3+, one Al3+, and three B3- atoms. The Os–Al bond length is 2.58 Å. There are one shorter (2.01 Å) and two longer (2.13 Å) Os–B bond lengths. Al3+ is bonded in a 4-coordinate geometry to four Os+1.50- atoms. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded to five La3+ and two Os+1.50- atoms to form a mixture of distorted edge and corner-sharing BLa5Os2 pentagonal bipyramids. In the second B3- site, B3- is bonded in a 7-coordinate geometry to four La3+ and three Os+1.50- 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:
- 1725339
- Report Number(s):
- mp-1192652
- Country of Publication:
- United States
- Language:
- English
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