Materials Data on Fe(SbO2)2 by Materials Project
FeSb2O4 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Fe2+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with two equivalent SbO5 square pyramids, edges with two equivalent FeO6 octahedra, and edges with two equivalent SbO5 square pyramids. There are a spread of Fe–O bond distances ranging from 2.08–2.31 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five O2- atoms to form distorted SbO5 square pyramids that share corners with two equivalent FeO6 octahedra, corners with four equivalent SbO5 square pyramids, and edges with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Sb–O bond distances ranging from 1.94–2.70 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.72 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe2+ and two Sb3+ atoms. In the third O2- site, O2- is bonded to one Fe2+ and three Sb3+ atoms to form a mixture of distorted edge and corner-sharing OFeSb3 tetrahedra.
- 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:
- 1277342
- Report Number(s):
- mp-601882
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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