Materials Data on Tc3W by Materials Project
WTc3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W5+ is bonded to twelve equivalent Tc+1.67- atoms to form WTc12 cuboctahedra that share corners with six equivalent WTc12 cuboctahedra, corners with twelve equivalent TcTc8W4 cuboctahedra, edges with eighteen equivalent TcTc8W4 cuboctahedra, faces with eight equivalent WTc12 cuboctahedra, and faces with twelve equivalent TcTc8W4 cuboctahedra. There are six shorter (2.75 Å) and six longer (2.78 Å) W–Tc bond lengths. Tc+1.67- is bonded to four equivalent W5+ and eight equivalent Tc+1.67- atoms to form distorted TcTc8W4 cuboctahedra that share corners with four equivalent WTc12 cuboctahedra, corners with fourteen equivalent TcTc8W4 cuboctahedra, edges with six equivalent WTc12 cuboctahedra, edges with twelve equivalent TcTc8W4 cuboctahedra, faces with four equivalent WTc12 cuboctahedra, and faces with sixteen equivalent TcTc8W4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.76–2.79 Å.
- 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:
- 1713824
- Report Number(s):
- mp-1187398
- Country of Publication:
- United States
- Language:
- English
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