Materials Data on Zn3P2 by Materials Project
Zn3P2 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Zn2+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.37–2.68 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a distorted octahedral geometry to six equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ 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:
- 1697218
- Report Number(s):
- mp-1197170
- Country of Publication:
- United States
- Language:
- English
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