Materials Data on Zr2Te by Materials Project
Zr2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted L-shaped geometry to two Te atoms. There are one shorter (2.97 Å) and one longer (3.04 Å) Zr–Te bond lengths. In the second Zr site, Zr is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (2.93 Å) and two longer (2.98 Å) Zr–Te bond lengths. In the third Zr site, Zr is bonded in a 5-coordinate geometry to five Te atoms. There are a spread of Zr–Te bond distances ranging from 2.92–3.05 Å. In the fourth Zr site, Zr is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (2.90 Å) and one longer (2.97 Å) Zr–Te bond lengths. In the fifth Zr site, Zr is bonded to five Te atoms to form distorted edge-sharing ZrTe5 trigonal bipyramids. There are a spread of Zr–Te bond distances ranging from 2.87–2.94 Å. In the sixth Zr site, Zr is bonded in a 5-coordinate geometry to five Te atoms. There are a spread of Zr–Te bond distances ranging from 2.94–3.19 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 9-coordinate geometry to nine Zr atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Zr atoms. In the third Te site, Te is bonded in a 7-coordinate geometry to seven Zr 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:
- 1196993
- Report Number(s):
- mp-21559
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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