Materials Data on HfZrO4 by Materials Project
HfZrO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Hf4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.05 Å) and four longer (2.42 Å) Hf–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.13 Å) and four longer (2.35 Å) Zr–O bond lengths. O2- is bonded to two equivalent Hf4+ and two equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing OHf2Zr2 tetrahedra.
- 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:
- 1289648
- Report Number(s):
- mp-754964
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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