U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn7(PbO5)3 by Materials Project
Abstract
Pb3Mn7O15 is Marcasite-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are six inequivalent Mn+3.43+ sites. In the first Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Mn–O bond distances ranging from 1.93–1.99 Å. In the second Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of corner and face-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Mn–O bond distances ranging from 1.99–2.17 Å. In the third Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Mn–O bond distances ranging from 1.94–1.99 Å. In the fourth Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Mn–O bond distances ranging from 1.97–2.07 Å. In the fifth Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atomsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-649813
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mn7(PbO5)3; Mn-O-Pb
- OSTI Identifier:
- 1280926
- DOI:
- https://doi.org/10.17188/1280926
Citation Formats
The Materials Project. Materials Data on Mn7(PbO5)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1280926.
The Materials Project. Materials Data on Mn7(PbO5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1280926
The Materials Project. 2019.
"Materials Data on Mn7(PbO5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1280926. https://www.osti.gov/servlets/purl/1280926. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1280926,
title = {Materials Data on Mn7(PbO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3Mn7O15 is Marcasite-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are six inequivalent Mn+3.43+ sites. In the first Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Mn–O bond distances ranging from 1.93–1.99 Å. In the second Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of corner and face-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Mn–O bond distances ranging from 1.99–2.17 Å. In the third Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Mn–O bond distances ranging from 1.94–1.99 Å. In the fourth Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Mn–O bond distances ranging from 1.97–2.07 Å. In the fifth Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four shorter (1.98 Å) and two longer (2.04 Å) Mn–O bond lengths. In the sixth Mn+3.43+ site, Mn+3.43+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There is two shorter (1.94 Å) and four longer (1.95 Å) Mn–O bond length. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–2.50 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.28 Å) and two longer (2.51 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.31 Å) and one longer (2.38 Å) Pb–O bond lengths. In the fourth Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to six O2- atoms. There are two shorter (2.34 Å) and four longer (2.77 Å) Pb–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+3.43+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn+3.43+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+3.43+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three Mn+3.43+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+3.43+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to three Mn+3.43+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn+3.43+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+3.43+ and one Pb2+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn+3.43+ and two Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+3.43+ and one Pb2+ atom.},
doi = {10.17188/1280926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}