Materials Data on As3Pb5ClO9 by Materials Project
Pb5As3O9Cl crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to three O2- and one Cl1- atom. There are two shorter (2.30 Å) and one longer (2.64 Å) Pb–O bond lengths. The Pb–Cl bond length is 3.04 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are three shorter (2.67 Å) and three longer (2.76 Å) Pb–O bond lengths. The Pb–Cl bond length is 2.92 Å. In the third Pb2+ site, Pb2+ is bonded to six equivalent O2- atoms to form distorted face-sharing PbO6 octahedra. There are three shorter (2.43 Å) and three longer (2.91 Å) Pb–O bond lengths. As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one As3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one As3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one As3+ atom. Cl1- is bonded in a trigonal pyramidal geometry to four Pb2+ 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:
- 1280905
- Report Number(s):
- mp-649619
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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