Materials Data on K3GeTe3 by Materials Project
K3GeTe3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of K–Te bond distances ranging from 3.53–3.93 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.59–3.79 Å. In the third K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing KTe6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 28–59°. There are a spread of K–Te bond distances ranging from 3.46–3.79 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.53–3.69 Å. Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.61 Å) and two longer (2.63 Å) Ge–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom. In the second Te2- site, Te2- is bonded to six K1+ and one Ge3+ atom to form a mixture of distorted edge, face, and corner-sharing TeK6Ge pentagonal bipyramids. In the third Te2- site, Te2- is bonded to six K1+ and one Ge3+ atom to form a mixture of distorted edge, face, and corner-sharing TeK6Ge pentagonal bipyramids.
- 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:
- 1201536
- Report Number(s):
- mp-27331
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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