Materials Data on SnPbF4 by Materials Project
PbSnF4 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PbSnF4 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.55 Å) and four longer (2.96 Å) Pb–F bond lengths. Sn2+ is bonded in a distorted pentagonal planar geometry to five F1- atoms. There are one shorter (2.12 Å) and four longer (2.28 Å) Sn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom. In the second F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Pb2+ and two equivalent Sn2+ 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:
- 1196019
- Report Number(s):
- mp-20815
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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