Materials Data on TiSn3 by Materials Project
TiSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Sn atoms to form TiSn12 cuboctahedra that share corners with six equivalent TiSn12 cuboctahedra, corners with twelve equivalent SnTi4Sn8 cuboctahedra, edges with eighteen equivalent SnTi4Sn8 cuboctahedra, faces with eight equivalent TiSn12 cuboctahedra, and faces with twelve equivalent SnTi4Sn8 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.27 Å) Ti–Sn bond lengths. Sn is bonded to four equivalent Ti and eight equivalent Sn atoms to form distorted SnTi4Sn8 cuboctahedra that share corners with four equivalent TiSn12 cuboctahedra, corners with fourteen equivalent SnTi4Sn8 cuboctahedra, edges with six equivalent TiSn12 cuboctahedra, edges with twelve equivalent SnTi4Sn8 cuboctahedra, faces with four equivalent TiSn12 cuboctahedra, and faces with sixteen equivalent SnTi4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.06–3.32 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1313804
- Report Number(s):
- mp-972318
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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