Materials Data on K3SnSb3 by Materials Project
K3SnSb3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted octahedral geometry to two equivalent K1+ and four Sb+2.33- atoms. Both K–K bond lengths are 3.30 Å. There are two shorter (4.04 Å) and two longer (4.09 Å) K–Sb bond lengths. In the second K1+ site, K1+ is bonded in a distorted square co-planar geometry to two equivalent K1+ and two equivalent Sb+2.33- atoms. Both K–K bond lengths are 3.35 Å. Both K–Sb bond lengths are 4.07 Å. In the third K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+ and four Sb+2.33- atoms. There are a spread of K–Sb bond distances ranging from 2.84–3.96 Å. In the fourth K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+, one Sn4+, and three equivalent Sb+2.33- atoms. The K–Sn bond length is 2.80 Å. There are a spread of K–Sb bond distances ranging from 3.73–4.01 Å. Sn4+ is bonded in a 4-coordinate geometry to one K1+ and three Sb+2.33- atoms. There are a spread of Sn–Sb bond distances ranging from 2.41–3.39 Å. There are three inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 1-coordinate geometry to two K1+, one Sn4+, and two Sb+2.33- atoms. There are one shorter (2.35 Å) and one longer (3.29 Å) Sb–Sb bond lengths. In the second Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- atom. In the third Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- 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:
- 1282719
- Report Number(s):
- mp-675476
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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