Materials Data on Ta(TeBr3)2 by Materials Project
Ta(TeBr3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ta(TeBr3)2 clusters. Ta4+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of Ta–Br bond distances ranging from 2.45–2.68 Å. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.18 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.26 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the fourth Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ 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:
- 1203827
- Report Number(s):
- mp-29427
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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