Materials Data on Pr3MnBi5 by Materials Project
Abstract
Pr3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Pr–Bi bond distances ranging from 3.25–3.65 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.95 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent Pr and two equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing BiPr5Mn2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent Pr and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.20 Å.
- Publication Date:
- Other Number(s):
- mp-569791
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-Mn-Pr; Pr3MnBi5; crystal structure
- OSTI Identifier:
- 1275265
- DOI:
- https://doi.org/10.17188/1275265
Citation Formats
Materials Data on Pr3MnBi5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1275265.
Materials Data on Pr3MnBi5 by Materials Project. United States. doi:https://doi.org/10.17188/1275265
2019.
"Materials Data on Pr3MnBi5 by Materials Project". United States. doi:https://doi.org/10.17188/1275265. https://www.osti.gov/servlets/purl/1275265. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1275265,
title = {Materials Data on Pr3MnBi5 by Materials Project},
abstractNote = {Pr3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Pr–Bi bond distances ranging from 3.25–3.65 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.95 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent Pr and two equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing BiPr5Mn2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent Pr and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.20 Å.},
doi = {10.17188/1275265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}
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