Materials Data on La3Sn13Rh4 by Materials Project
SnLa3Rh4Sn12 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to four Rh and twelve Sn atoms. There are a spread of La–Rh bond distances ranging from 3.48–3.51 Å. There are a spread of La–Sn bond distances ranging from 3.43–3.56 Å. In the second La site, La is bonded in a 12-coordinate geometry to four Rh and twelve Sn atoms. There are three shorter (3.49 Å) and one longer (3.50 Å) La–Rh bond lengths. There are a spread of La–Sn bond distances ranging from 3.43–3.49 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to three La and six Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.69–2.72 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to three La and six Sn atoms. There are two shorter (2.69 Å) and four longer (2.71 Å) Rh–Sn bond lengths. In the third Rh site, Rh is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. In the fourth Rh site, Rh is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two Rh, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a distorted cuboctahedral geometry to twelve Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.20–3.49 Å. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two Rh, and one Sn atom. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three La, two Rh, and one Sn atom. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three La, two Rh, and one Sn atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1279915
- Report Number(s):
- mp-640274
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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