Materials Data on Er2AlSi by Materials Project
Er2AlSi crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to three equivalent Al and four equivalent Si atoms. There are a spread of Er–Al bond distances ranging from 3.06–3.18 Å. There are two shorter (2.99 Å) and two longer (3.01 Å) Er–Si bond lengths. In the second Er site, Er is bonded in a 7-coordinate geometry to four equivalent Al and three equivalent Si atoms. There are two shorter (3.01 Å) and two longer (3.03 Å) Er–Al bond lengths. There are a spread of Er–Si bond distances ranging from 3.00–3.19 Å. Al is bonded in a 2-coordinate geometry to seven Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.54 Å. Si is bonded in a 9-coordinate geometry to seven Er and two equivalent Al 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:
- 1713506
- Report Number(s):
- mp-1225062
- Country of Publication:
- United States
- Language:
- English
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