Materials Data on Fe14O15 by Materials Project
Fe14O15 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are five inequivalent Fe+2.14+ sites. In the first Fe+2.14+ site, Fe+2.14+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Fe–O bond distances ranging from 2.07–2.22 Å. In the second Fe+2.14+ site, Fe+2.14+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Fe–O bond distances ranging from 2.07–2.22 Å. In the third Fe+2.14+ site, Fe+2.14+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Fe–O bond distances ranging from 2.07–2.22 Å. In the fourth Fe+2.14+ site, Fe+2.14+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 3–13°. There are a spread of Fe–O bond distances ranging from 2.13–2.22 Å. In the fifth Fe+2.14+ site, Fe+2.14+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Fe–O bond distances ranging from 2.02–2.14 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Fe+2.14+ atoms to form OFe5 square pyramids that share corners with five OFe6 octahedra, corners with four equivalent OFe5 square pyramids, and edges with eight equivalent OFe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded to six Fe+2.14+ atoms to form OFe6 octahedra that share corners with four equivalent OFe6 octahedra, corners with two OFe5 square pyramids, edges with seven OFe6 octahedra, and edges with five OFe5 square pyramids. The corner-sharing octahedra tilt angles range from 1–8°. In the third O2- site, O2- is bonded to six Fe+2.14+ atoms to form OFe6 octahedra that share corners with six OFe5 square pyramids, edges with eight equivalent OFe6 octahedra, and edges with four equivalent OFe5 square pyramids. In the fourth O2- site, O2- is bonded to five Fe+2.14+ atoms to form OFe5 square pyramids that share corners with three OFe6 octahedra, corners with six OFe5 square pyramids, edges with seven OFe6 octahedra, and an edgeedge with one OFe5 square pyramid. The corner-sharing octahedra tilt angles range from 7–10°.
- 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:
- 1294861
- Report Number(s):
- mp-764417
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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