Materials Data on Zr3Pb(O2F3)2 by Materials Project
Zr3Pb(O2F3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent F1- atoms. All Zr–O bond lengths are 2.17 Å. All Zr–F bond lengths are 2.21 Å. Pb2+ is bonded in a distorted tetrahedral geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.58 Å. O2- is bonded to three equivalent Zr4+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OZr3Pb tetrahedra. F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ 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:
- 1264950
- Report Number(s):
- mp-541097
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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