U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3Bi by Materials Project
Abstract
Mn3Bi is Uranium Silicide-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.82–2.94 Å. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the second Mn site, Mn is bonded in a distorted square co-planar geometry to eight Mn and four Bi atoms. There are a spread of Mn–Mn bond distances ranging from 2.92–2.94 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) Mn–Bi bond lengths. In the third Mn site, Mn is bonded in a distorted square co-planar geometry to eight Mn and four Bi atoms. There are a spread of Mn–Mn bond distances ranging from 2.92–2.94 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) Mn–Bi bond lengths. In the fourth Mn site, Mn is bonded to eight Mnmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-623452
- 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; Mn3Bi; Bi-Mn
- OSTI Identifier:
- 1278204
- DOI:
- https://doi.org/10.17188/1278204
Citation Formats
The Materials Project. Materials Data on Mn3Bi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278204.
The Materials Project. Materials Data on Mn3Bi by Materials Project. United States. doi:https://doi.org/10.17188/1278204
The Materials Project. 2020.
"Materials Data on Mn3Bi by Materials Project". United States. doi:https://doi.org/10.17188/1278204. https://www.osti.gov/servlets/purl/1278204. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1278204,
title = {Materials Data on Mn3Bi by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3Bi is Uranium Silicide-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.82–2.94 Å. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the second Mn site, Mn is bonded in a distorted square co-planar geometry to eight Mn and four Bi atoms. There are a spread of Mn–Mn bond distances ranging from 2.92–2.94 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) Mn–Bi bond lengths. In the third Mn site, Mn is bonded in a distorted square co-planar geometry to eight Mn and four Bi atoms. There are a spread of Mn–Mn bond distances ranging from 2.92–2.94 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) Mn–Bi bond lengths. In the fourth Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.84–2.94 Å. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the fifth Mn site, Mn is bonded in a distorted square co-planar geometry to eight Mn and four Bi atoms. There are a spread of Mn–Mn bond distances ranging from 2.92–2.94 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) Mn–Bi bond lengths. In the sixth Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.82–2.92 Å. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the seventh Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.83–2.95 Å. There are one shorter (2.92 Å) and three longer (2.93 Å) Mn–Bi bond lengths. In the eighth Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are one shorter (2.83 Å) and one longer (2.84 Å) Mn–Mn bond lengths. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the ninth Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.83–2.93 Å. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the tenth Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are one shorter (2.92 Å) and one longer (2.93 Å) Mn–Mn bond lengths. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the eleventh Mn site, Mn is bonded to eight Mn and four Bi atoms to form distorted MnMn8Bi4 cuboctahedra that share corners with twelve MnMn8Bi4 cuboctahedra, edges with eight MnMn8Bi4 cuboctahedra, edges with eight BiMn12 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with ten MnMn8Bi4 cuboctahedra. There are a spread of Mn–Bi bond distances ranging from 2.92–2.94 Å. In the twelfth Mn site, Mn is bonded in a distorted square co-planar geometry to eight Mn and four Bi atoms. There are one shorter (2.83 Å) and three longer (2.84 Å) Mn–Bi bond lengths. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded to twelve Mn atoms to form BiMn12 cuboctahedra that share corners with four equivalent BiMn12 cuboctahedra, edges with eight BiMn12 cuboctahedra, edges with sixteen MnMn8Bi4 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with eight MnMn8Bi4 cuboctahedra. In the second Bi site, Bi is bonded to twelve Mn atoms to form BiMn12 cuboctahedra that share corners with four equivalent BiMn12 cuboctahedra, edges with eight BiMn12 cuboctahedra, edges with sixteen MnMn8Bi4 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with eight MnMn8Bi4 cuboctahedra. In the third Bi site, Bi is bonded to twelve Mn atoms to form BiMn12 cuboctahedra that share corners with four equivalent BiMn12 cuboctahedra, edges with eight BiMn12 cuboctahedra, edges with sixteen MnMn8Bi4 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with eight MnMn8Bi4 cuboctahedra. In the fourth Bi site, Bi is bonded to twelve Mn atoms to form BiMn12 cuboctahedra that share corners with four equivalent BiMn12 cuboctahedra, edges with eight BiMn12 cuboctahedra, edges with sixteen MnMn8Bi4 cuboctahedra, faces with four BiMn12 cuboctahedra, and faces with eight MnMn8Bi4 cuboctahedra.},
doi = {10.17188/1278204},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}
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