Materials Data on ZnSn3 by Materials Project
ZnSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Sn atoms to form ZnSn12 cuboctahedra that share corners with six equivalent ZnSn12 cuboctahedra, corners with twelve equivalent SnZn4Sn8 cuboctahedra, edges with eighteen equivalent SnZn4Sn8 cuboctahedra, faces with eight equivalent ZnSn12 cuboctahedra, and faces with twelve equivalent SnZn4Sn8 cuboctahedra. There are six shorter (3.29 Å) and six longer (3.31 Å) Zn–Sn bond lengths. Sn is bonded to four equivalent Zn and eight equivalent Sn atoms to form distorted SnZn4Sn8 cuboctahedra that share corners with four equivalent ZnSn12 cuboctahedra, corners with fourteen equivalent SnZn4Sn8 cuboctahedra, edges with six equivalent ZnSn12 cuboctahedra, edges with twelve equivalent SnZn4Sn8 cuboctahedra, faces with four equivalent ZnSn12 cuboctahedra, and faces with sixteen equivalent SnZn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.24–3.34 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:
- 1313668
- Report Number(s):
- mp-971919
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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