Materials Data on Na4FeO5 by Materials Project
Na4FeO5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share a cornercorner with one FeO6 octahedra, corners with five equivalent NaO6 octahedra, edges with three equivalent FeO6 octahedra, and edges with nine equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There are a spread of Na–O bond distances ranging from 2.30–2.86 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent NaO6 octahedra, and edges with twelve equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are four shorter (1.85 Å) and two longer (2.29 Å) Fe–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Na and two equivalent Fe atoms to form corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O site, O is bonded in a 6-coordinate geometry to five equivalent Na and one Fe atom.
- 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:
- 1295351
- Report Number(s):
- mp-764839
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na4(Fe2O3)5 by Materials Project
Materials Data on Na3FeO4 by Materials Project