Materials Data on ZnSnF5 by Materials Project
ZnSnF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Zn2+ is bonded to four F1- atoms to form ZnF4 tetrahedra that share corners with four equivalent SnF6 octahedra. The corner-sharing octahedra tilt angles range from 31–40°. There is two shorter (1.92 Å) and two longer (1.99 Å) Zn–F bond length. Sn3+ is bonded to six F1- atoms to form SnF6 octahedra that share corners with two equivalent SnF6 octahedra and corners with four equivalent ZnF4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are four shorter (2.15 Å) and two longer (2.16 Å) Sn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sn3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Zn2+ and one Sn3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Zn2+ and one Sn3+ 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:
- 1319548
- Report Number(s):
- mvc-15838
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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