Materials Data on Nd(Fe2B)6 by Materials Project

doi:10.17188/1280077

Title: Materials Data on Nd(Fe2B)6 by Materials Project

Dataset
Other Related Research

Abstract

NdFe12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded to eighteen Fe and six equivalent B atoms to form distorted edge-sharing NdFe18B6 cuboctahedra. There are six shorter (3.11 Å) and twelve longer (3.28 Å) Nd–Fe bond lengths. All Nd–B bond lengths are 3.04 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent Nd and four equivalent B atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) Fe–B bond lengths. In the second Fe site, Fe is bonded in a distorted T-shaped geometry to one Nd and three equivalent B atoms. There are one shorter (2.14 Å) and two longer (2.19 Å) Fe–B bond lengths. B is bonded in a 7-coordinate geometry to one Nd and seven Fe atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-641957

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(Fe2B)6; B-Fe-Nd

OSTI Identifier:: 1280077

DOI:: https://doi.org/10.17188/1280077

Citation Formats


                    The Materials Project. Materials Data on Nd(Fe2B)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280077.

Copy to clipboard


                    The Materials Project. Materials Data on Nd(Fe2B)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280077

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Nd(Fe2B)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280077.  https://www.osti.gov/servlets/purl/1280077. Pub date:Fri Jul 17 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1280077,

  title        = {Materials Data on Nd(Fe2B)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdFe12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded to eighteen Fe and six equivalent B atoms to form distorted edge-sharing NdFe18B6 cuboctahedra. There are six shorter (3.11 Å) and twelve longer (3.28 Å) Nd–Fe bond lengths. All Nd–B bond lengths are 3.04 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent Nd and four equivalent B atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) Fe–B bond lengths. In the second Fe site, Fe is bonded in a distorted T-shaped geometry to one Nd and three equivalent B atoms. There are one shorter (2.14 Å) and two longer (2.19 Å) Fe–B bond lengths. B is bonded in a 7-coordinate geometry to one Nd and seven Fe atoms.},

  doi          = {10.17188/1280077},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1280077

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on La(Fe2B)6 by Materials Project

Dataset The Materials Project

LaFe12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La is bonded to eighteen Fe and six equivalent B atoms to form distorted edge-sharing LaFe18B6 cuboctahedra. There are six shorter (3.15 Å) and twelve longer (3.30 Å) La–Fe bond lengths. All La–B bond lengths are 3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted T-shaped geometry to one La and three equivalent B atoms. There are one shorter (2.14 Å) and two longer (2.18 Å) Fe–B bond lengths. In the second Fe site, Fe is bonded inmore »« less
Materials Data on Fe2B by Materials Project

Dataset The Materials Project

Fe2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe is bonded in a 4-coordinate geometry to four equivalent B atoms. All Fe–B bond lengths are 2.17 Å. B is bonded in a 10-coordinate geometry to eight equivalent Fe and two equivalent B atoms. Both B–B bond lengths are 2.12 Å.
Materials Data on Fe2B by Materials Project

Dataset The Materials Project

Fe2B crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded in a 4-coordinate geometry to four equivalent B atoms. All Fe–B bond lengths are 2.15 Å. B is bonded in a body-centered cubic geometry to eight equivalent Fe atoms.
Materials Data on Fe2B(PO4)3 by Materials Project

Dataset The Materials Project

Fe2BP3O12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent PO4 tetrahedra and a faceface with one FeO6 octahedra. There are three shorter (1.95 Å) and three longer (2.13 Å) Fe–O bond lengths. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.37 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–51°. Theremore »« less
Materials Data on Nd(MnSn)6 by Materials Project

Dataset The Materials Project

Nd(MnSn)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the second Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the third Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. Theremore »« less

Similar Records