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Materials Data on TcO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1672559· OSTI ID:1672559
TcO2 is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Tc4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.96 Å) and four longer (2.03 Å) Tc–O bond length. O2- is bonded in a distorted T-shaped 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:
1672559
Report Number(s):
mp-1205302
Country of Publication:
United States
Language:
English

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