Materials Data on Nd(Al5Fe)2 by Materials Project

doi:10.17188/1717920

Title: Materials Data on Nd(Al5Fe)2 by Materials Project

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Abstract

Al10Fe2Nd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Nd–Fe bond lengths are 3.46 Å. There are a spread of Nd–Al bond distances ranging from 3.17–3.67 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Nd and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.55–2.75 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Nd, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.59–3.03 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.85 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Nd, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd,more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1209904

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; Nd(Al5Fe)2; Al-Fe-Nd

OSTI Identifier:: 1717920

DOI:: https://doi.org/10.17188/1717920

Citation Formats


                    The Materials Project. Materials Data on Nd(Al5Fe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717920.

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                    The Materials Project. Materials Data on Nd(Al5Fe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717920

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                    The Materials Project. 2020.  
"Materials Data on Nd(Al5Fe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717920.  https://www.osti.gov/servlets/purl/1717920. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1717920,

  title        = {Materials Data on Nd(Al5Fe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al10Fe2Nd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Nd–Fe bond lengths are 3.46 Å. There are a spread of Nd–Al bond distances ranging from 3.17–3.67 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Nd and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.55–2.75 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Nd, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.59–3.03 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.85 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Nd, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Fe, and eight Al atoms. There are one shorter (2.63 Å) and one longer (2.85 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Nd, two equivalent Fe, and nine Al atoms. The Al–Al bond length is 2.70 Å.},

  doi          = {10.17188/1717920},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1717920

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