Materials Data on TcO2 by Materials Project
TcO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tc4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TcO6 octahedra. The corner-sharing octahedra tilt angles range from 40–50°. There are a spread of Tc–O bond distances ranging from 1.95–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Tc4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Tc4+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1206516
- Report Number(s):
- mp-33137
- Country of Publication:
- United States
- Language:
- English
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