Materials Data on Co3OF5 by Materials Project
Co3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Co+2.33+ sites. In the first Co+2.33+ site, Co+2.33+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing CoOF5 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. The Co–O bond length is 1.77 Å. There are four shorter (2.07 Å) and one longer (2.10 Å) Co–F bond lengths. In the second Co+2.33+ site, Co+2.33+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing CoOF5 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. The Co–O bond length is 2.01 Å. There are a spread of Co–F bond distances ranging from 2.06–2.15 Å. In the third Co+2.33+ site, Co+2.33+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are two shorter (1.99 Å) and four longer (2.08 Å) Co–F bond lengths. In the fourth Co+2.33+ site, Co+2.33+ is bonded to two equivalent O2- and four F1- atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. Both Co–O bond lengths are 2.04 Å. There are two shorter (2.05 Å) and two longer (2.11 Å) Co–F bond lengths. O2- is bonded in a distorted trigonal planar geometry to three Co+2.33+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Co+2.33+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three Co+2.33+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Co+2.33+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Co+2.33+ 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:
- 1293301
- Report Number(s):
- mp-763206
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Co3OF5 by Materials Project
Materials Data on Co3OF5 by Materials Project