Materials Data on Ca5MnPb3 by Materials Project
Abstract
Ca5MnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to two equivalent Mn and five equivalent Pb atoms. Both Ca–Mn bond lengths are 3.28 Å. There are a spread of Ca–Pb bond distances ranging from 3.17–3.53 Å. In the second Ca site, Ca is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing CaPb6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ca–Pb bond lengths are 3.50 Å. Mn is bonded to six equivalent Ca atoms to form distorted face-sharing MnCa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-680842
- 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; Ca5MnPb3; Ca-Mn-Pb
- OSTI Identifier:
- 1283735
- DOI:
- https://doi.org/10.17188/1283735
Citation Formats
The Materials Project. Materials Data on Ca5MnPb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283735.
The Materials Project. Materials Data on Ca5MnPb3 by Materials Project. United States. doi:https://doi.org/10.17188/1283735
The Materials Project. 2020.
"Materials Data on Ca5MnPb3 by Materials Project". United States. doi:https://doi.org/10.17188/1283735. https://www.osti.gov/servlets/purl/1283735. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1283735,
title = {Materials Data on Ca5MnPb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca5MnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to two equivalent Mn and five equivalent Pb atoms. Both Ca–Mn bond lengths are 3.28 Å. There are a spread of Ca–Pb bond distances ranging from 3.17–3.53 Å. In the second Ca site, Ca is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing CaPb6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ca–Pb bond lengths are 3.50 Å. Mn is bonded to six equivalent Ca atoms to form distorted face-sharing MnCa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1283735},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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