Materials Data on La2Mn3PbO9 by Materials Project
La2Mn3PbO9 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.78 Å. There are two inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. All Mn–O bond lengths are 2.00 Å. In the second Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and faces with three equivalent PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 14–21°. There are three shorter (1.99 Å) and three longer (2.01 Å) Mn–O bond lengths. Pb2+ is bonded to twelve O2- atoms to form distorted PbO12 cuboctahedra that share corners with six equivalent PbO12 cuboctahedra and faces with eight MnO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.56–3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+, two equivalent Mn+3.33+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+, two Mn+3.33+, 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:
- 1284537
- Report Number(s):
- mp-690564
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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