Materials Data on Sn2OF5 by Materials Project
Sn2OF5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sn+3.50+ sites. In the first Sn+3.50+ site, Sn+3.50+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are six shorter (2.48 Å) and two longer (2.61 Å) Sn–F bond lengths. In the second Sn+3.50+ site, Sn+3.50+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing SnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 38–51°. Both Sn–O bond lengths are 2.08 Å. There are two shorter (1.97 Å) and two longer (2.09 Å) Sn–F bond lengths. In the third Sn+3.50+ site, Sn+3.50+ is bonded to two equivalent O2- and four F1- atoms to form a mixture of edge and corner-sharing SnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 38–51°. Both Sn–O bond lengths are 2.09 Å. There are a spread of Sn–F bond distances ranging from 1.98–2.14 Å. O2- is bonded in a distorted trigonal planar geometry to three Sn+3.50+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two Sn+3.50+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn+3.50+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two Sn+3.50+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn+3.50+ 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:
- 1204039
- Report Number(s):
- mp-29590
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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