Materials Data on SnF3 by Materials Project
SnF3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two SnF3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sn–F bond distances ranging from 1.96–2.12 Å. In the second Sn3+ site, Sn3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.46 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn3+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Sn3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn3+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Sn3+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two Sn3+ 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:
- 1319144
- Report Number(s):
- mvc-14464
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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