Materials Data on Cu3(TeO5)2 by Materials Project
Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cu3(TeO5)2 ribbon oriented in the (1, 1, 0) direction. there are two inequivalent Cu+2.67+ sites. In the first Cu+2.67+ site, Cu+2.67+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (2.11 Å) Cu–O bond length. In the second Cu+2.67+ site, Cu+2.67+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.51–2.17 Å. Te6+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.39–1.90 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Cu+2.67+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Cu+2.67+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cu+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Te6+ 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:
- 1289740
- Report Number(s):
- mp-755032
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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