Materials Data on SrPbF6 by Materials Project
SrPbF6 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (2.73 Å) and eight longer (2.79 Å) Sr–F bond lengths. Pb4+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.08 Å) and two longer (2.15 Å) Pb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Pb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Pb4+ 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:
- 1262002
- Report Number(s):
- mp-504677
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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