Materials Data on K2PbO3 by Materials Project
K2PbO3 is beta Sn-derived structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.63 Å) and four longer (2.89 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to six equivalent O2- atoms to form KO6 octahedra that share edges with six equivalent PbO6 octahedra. All K–O bond lengths are 2.68 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share edges with three equivalent KO6 octahedra and edges with three equivalent PbO6 octahedra. All Pb–O bond lengths are 2.28 Å. O2- is bonded to four K1+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–49°.
- 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:
- 1271974
- Report Number(s):
- mp-561277
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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