Materials Data on K3SnSb3 by Materials Project
K3SnSb3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Sb+2.33- atoms to form a mixture of distorted edge and corner-sharing KSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of K–Sb bond distances ranging from 3.66–3.98 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to five Sb+2.33- atoms. There are a spread of K–Sb bond distances ranging from 3.66–4.05 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+2.33- atoms. There are a spread of K–Sb bond distances ranging from 3.68–3.92 Å. Sn4+ is bonded in a distorted trigonal non-coplanar geometry to three Sb+2.33- atoms. There are two shorter (2.92 Å) and one longer (2.96 Å) Sn–Sb bond lengths. There are three inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 8-coordinate geometry to six K1+ and two equivalent Sb+2.33- atoms. Both Sb–Sb bond lengths are 2.90 Å. In the second Sb+2.33- site, Sb+2.33- is bonded in a 7-coordinate geometry to six K1+ and two equivalent Sn4+ atoms. In the third Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to five K1+, one Sn4+, and two equivalent Sb+2.33- atoms.
- 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:
- 1653551
- Report Number(s):
- mp-1223733
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba19(InN)9 by Materials Project
Materials Data on K10In5Sb9 by Materials Project