Materials Data on Nd(Fe5Si)2 by Materials Project

doi:10.17188/1749198

Title: Materials Data on Nd(Fe5Si)2 by Materials Project

Dataset
Other Related Research

Abstract

NdFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Nd–Fe bond distances ranging from 2.98–3.20 Å. All Nd–Si bond lengths are 3.13 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Nd, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.33–2.90 Å. Both Fe–Si bond lengths are 2.57 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to one Nd, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.64 Å. Both Fe–Si bond lengths are 2.49 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Nd, eight Fe, and two equivalent Si atoms. All Fe–Fe bond lengths are 2.44 Å. Both Fe–Si bond lengths are 2.73 Å. In the fourth Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Si atoms to form distorted FeNd2Fe8Si2 cuboctahedra that share corners with fourmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1220494

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(Fe5Si)2; Fe-Nd-Si

OSTI Identifier:: 1749198

DOI:: https://doi.org/10.17188/1749198

Citation Formats


                    The Materials Project. Materials Data on Nd(Fe5Si)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749198.

Copy to clipboard


                    The Materials Project. Materials Data on Nd(Fe5Si)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749198

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Nd(Fe5Si)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749198.  https://www.osti.gov/servlets/purl/1749198. Pub date:Fri Jun 05 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1749198,

  title        = {Materials Data on Nd(Fe5Si)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Nd–Fe bond distances ranging from 2.98–3.20 Å. All Nd–Si bond lengths are 3.13 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Nd, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.33–2.90 Å. Both Fe–Si bond lengths are 2.57 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to one Nd, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.64 Å. Both Fe–Si bond lengths are 2.49 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Nd, eight Fe, and two equivalent Si atoms. All Fe–Fe bond lengths are 2.44 Å. Both Fe–Si bond lengths are 2.73 Å. In the fourth Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Si atoms to form distorted FeNd2Fe8Si2 cuboctahedra that share corners with four equivalent SiNd2Fe10 cuboctahedra, corners with ten equivalent FeNd2Fe8Si2 cuboctahedra, edges with two equivalent SiNd2Fe10 cuboctahedra, edges with four equivalent FeNd2Fe8Si2 cuboctahedra, faces with four equivalent SiNd2Fe10 cuboctahedra, and faces with six equivalent FeNd2Fe8Si2 cuboctahedra. Both Fe–Fe bond lengths are 2.36 Å. Both Fe–Si bond lengths are 2.41 Å. Si is bonded to two equivalent Nd and ten Fe atoms to form SiNd2Fe10 cuboctahedra that share corners with six equivalent SiNd2Fe10 cuboctahedra, corners with eight equivalent FeNd2Fe8Si2 cuboctahedra, edges with three equivalent SiNd2Fe10 cuboctahedra, edges with four equivalent FeNd2Fe8Si2 cuboctahedra, a faceface with one SiNd2Fe10 cuboctahedra, and faces with eight equivalent FeNd2Fe8Si2 cuboctahedra.},

  doi          = {10.17188/1749198},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1749198

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Gd(Fe5Si)2 by Materials Project

Dataset The Materials Project

Gd(Fe5Si)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Gd–Fe bond distances ranging from 2.95–3.18 Å. All Gd–Si bond lengths are 3.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Gd, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.90 Å. Both Fe–Si bond lengths are 2.59 Å. In the second Fe site, Fe ismore »« less
Materials Data on Y(Fe5Si)2 by Materials Project

Dataset The Materials Project

YFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Y–Fe bond distances ranging from 2.95–3.18 Å. All Y–Si bond lengths are 3.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Y, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.31–2.90 Å. Both Fe–Si bond lengths are 2.60 Å. In the second Fe site, Fe ismore »« less
Materials Data on Tb(Fe5Si)2 by Materials Project

Dataset The Materials Project

TbFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Tb–Fe bond distances ranging from 2.94–3.18 Å. All Tb–Si bond lengths are 3.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Tb, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.33–2.91 Å. Both Fe–Si bond lengths are 2.59 Å. In the second Fe site, Fe ismore »« less
Materials Data on Sc(Fe5Si)2 by Materials Project

Dataset The Materials Project

ScFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Sc–Fe bond distances ranging from 2.87–3.14 Å. All Sc–Si bond lengths are 3.05 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to one Sc, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.31–2.90 Å. Both Fe–Si bond lengths are 2.59 Å. In the second Fe site, Fe ismore »« less
Materials Data on Er(Fe5Si)2 by Materials Project

Dataset The Materials Project

ErFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Er–Fe bond distances ranging from 2.93–3.17 Å. All Er–Si bond lengths are 3.07 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Er, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.90 Å. Both Fe–Si bond lengths are 2.60 Å. In the second Fe site, Fe ismore »« less

Similar Records