Materials Data on Y6Pb8OF32 by Materials Project
Y6Pb8OF32 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.23–2.37 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to one O2- and seven F1- atoms. The Pb–O bond length is 2.69 Å. There are a spread of Pb–F bond distances ranging from 2.50–2.86 Å. In the second Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.03 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Pb2+ and eight F1- atoms. There are six shorter (2.79 Å) and two longer (2.86 Å) O–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Y3+ and three Pb2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Y3+, three equivalent Pb2+, and one O2- atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Y3+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Pb2+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Y3+ and one Pb2+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to four Pb2+ and one O2- 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:
- 1278059
- Report Number(s):
- mp-621825
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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