Materials Data on CeHfO4 by Materials Project
CeHfO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are four inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.39 Å) Ce–O bond lengths. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.39 Å) Ce–O bond lengths. In the third Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.39 Å) Ce–O bond lengths. In the fourth Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.39 Å) Ce–O bond lengths. There are four inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to eight equivalent O2- atoms to form distorted edge-sharing HfO8 tetrahedra. There are four shorter (2.04 Å) and four longer (2.58 Å) Hf–O bond lengths. In the second Hf4+ site, Hf4+ is bonded to eight equivalent O2- atoms to form distorted edge-sharing HfO8 tetrahedra. There are four shorter (2.04 Å) and four longer (2.58 Å) Hf–O bond lengths. In the third Hf4+ site, Hf4+ is bonded to eight equivalent O2- atoms to form distorted edge-sharing HfO8 tetrahedra. There are four shorter (2.04 Å) and four longer (2.58 Å) Hf–O bond lengths. In the fourth Hf4+ site, Hf4+ is bonded to eight equivalent O2- atoms to form distorted edge-sharing HfO8 tetrahedra. There are four shorter (2.04 Å) and four longer (2.58 Å) Hf–O bond lengths. O2- is bonded in a 4-coordinate geometry to two Ce4+ and two Hf4+ 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:
- 1290461
- Report Number(s):
- mp-756276
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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