Materials Data on NaTl by Materials Project
NaTl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded in a 2-coordinate geometry to three equivalent Na and eight Tl atoms. There are two shorter (3.45 Å) and one longer (3.70 Å) Na–Na bond lengths. There are a spread of Na–Tl bond distances ranging from 3.19–3.70 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to eight equivalent Na and four Tl atoms to form a mixture of face, edge, and corner-sharing TlNa8Tl4 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.40 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 10-coordinate geometry to eight equivalent Na and two equivalent Tl 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:
- 1700411
- Report Number(s):
- mp-1078955
- Country of Publication:
- United States
- Language:
- English
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