Materials Data on TaPbF7 by Materials Project
PbTaF7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ta5+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ta–F bond distances ranging from 1.93–2.04 Å. Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.51–2.73 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and two equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ta5+ and one Pb2+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and one Pb2+ 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:
- 1269723
- Report Number(s):
- mp-557163
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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