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Materials Data on Zn3P2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1697218· OSTI ID:1697218
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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