Materials Data on Hf2N2O by Materials Project
Hf2ON2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of Hf–N bond distances ranging from 2.17–2.32 Å. There are one shorter (2.45 Å) and one longer (2.60 Å) Hf–O bond lengths. In the second Hf4+ site, Hf4+ is bonded to four N3- and three equivalent O2- atoms to form distorted edge-sharing HfN4O3 pentagonal bipyramids. There are a spread of Hf–N bond distances ranging from 2.16–2.26 Å. There are two shorter (2.15 Å) and one longer (2.44 Å) Hf–O bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Hf4+ atoms to form a mixture of distorted corner, edge, and face-sharing NHf5 square pyramids. In the second N3- site, N3- is bonded to five Hf4+ atoms to form a mixture of distorted corner, edge, and face-sharing NHf5 square pyramids. O2- is bonded in a 2-coordinate geometry to five 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:
- 1288803
- Report Number(s):
- mp-752754
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Hf2N2O by Materials Project
Materials Data on Hf2N2O by Materials Project