Materials Data on Ca5FePb3 by Materials Project
Abstract
Ca5FePb3 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 to two equivalent Fe and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing CaFe2Pb5 pentagonal bipyramids. Both Ca–Fe bond lengths are 3.10 Å. There are a spread of Ca–Pb bond distances ranging from 3.28–3.52 Å. In the second Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ca–Pb bond lengths are 3.43 Å. Fe is bonded to six equivalent Ca atoms to form face-sharing FeCa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-686764
- 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; Ca5FePb3; Ca-Fe-Pb
- OSTI Identifier:
- 1284398
- DOI:
- https://doi.org/10.17188/1284398
Citation Formats
The Materials Project. Materials Data on Ca5FePb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284398.
The Materials Project. Materials Data on Ca5FePb3 by Materials Project. United States. doi:https://doi.org/10.17188/1284398
The Materials Project. 2020.
"Materials Data on Ca5FePb3 by Materials Project". United States. doi:https://doi.org/10.17188/1284398. https://www.osti.gov/servlets/purl/1284398. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1284398,
title = {Materials Data on Ca5FePb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca5FePb3 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 to two equivalent Fe and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing CaFe2Pb5 pentagonal bipyramids. Both Ca–Fe bond lengths are 3.10 Å. There are a spread of Ca–Pb bond distances ranging from 3.28–3.52 Å. In the second Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ca–Pb bond lengths are 3.43 Å. Fe is bonded to six equivalent Ca atoms to form face-sharing FeCa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1284398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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