Materials Data on MgTl3 by Materials Project
MgTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Tl atoms to form MgTl12 cuboctahedra that share corners with six equivalent MgTl12 cuboctahedra, corners with twelve equivalent TlMg4Tl8 cuboctahedra, edges with eighteen equivalent TlMg4Tl8 cuboctahedra, faces with eight equivalent MgTl12 cuboctahedra, and faces with twelve equivalent TlMg4Tl8 cuboctahedra. There are six shorter (3.43 Å) and six longer (3.44 Å) Mg–Tl bond lengths. Tl is bonded to four equivalent Mg and eight equivalent Tl atoms to form distorted TlMg4Tl8 cuboctahedra that share corners with four equivalent MgTl12 cuboctahedra, corners with fourteen equivalent TlMg4Tl8 cuboctahedra, edges with six equivalent MgTl12 cuboctahedra, edges with twelve equivalent TlMg4Tl8 cuboctahedra, faces with four equivalent MgTl12 cuboctahedra, and faces with sixteen equivalent TlMg4Tl8 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.40–3.48 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:
- 1315878
- Report Number(s):
- mp-978262
- Country of Publication:
- United States
- Language:
- English
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