Materials Data on CrO2 by Materials Project
CrO2 is Brookite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two CrO2 sheets oriented in the (0, 0, 1) direction. Cr4+ is bonded to six O2- atoms to form edge-sharing CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.77–2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ 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:
- 1286649
- Report Number(s):
- mp-714929
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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