Materials Data on ZnBi3 by Materials Project
ZnBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Zn–Bi bond lengths are 3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Zn and eight Bi atoms to form a mixture of distorted edge, face, and corner-sharing BiZn4Bi8 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.57 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.
- 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:
- 1313590
- Report Number(s):
- mp-971718
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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