Materials Data on Sb3O7F by Materials Project
Sb3O7F crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent SbO6F pentagonal bipyramids, and edges with two equivalent SbO6F pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.92 Å) and four longer (2.03 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- and one F1- atom to form SbO6F pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, corners with three equivalent SbO6F pentagonal bipyramids, an edgeedge with one SbO6 octahedra, and edges with two equivalent SbO6F pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are a spread of Sb–O bond distances ranging from 1.92–2.13 Å. The Sb–F bond length is 2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Sb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Sb5+ atoms. F1- is bonded in a distorted linear geometry to two equivalent Sb5+ 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:
- 1289040
- Report Number(s):
- mp-753495
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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