Materials Data on Fe3(Ni10B3)2 by Materials Project

doi:10.17188/1731590

Title: Materials Data on Fe3(Ni10B3)2 by Materials Project

Dataset
Other Related Research

Abstract

Fe3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Fe–Ni bond lengths are 2.50 Å. In the second Fe site, Fe is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Fe–Ni bond lengths are 2.41 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Fe and two equivalent B atoms. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to one Fe and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiFeB3 tetrahedra. All Ni–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1193589

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; B-Fe-Ni; Fe3(Ni10B3)2; crystal structure

OSTI Identifier:: 1731590

DOI:: https://doi.org/10.17188/1731590

Citation Formats


                    Materials Data on Fe3(Ni10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731590.

Copy to clipboard


                    Materials Data on Fe3(Ni10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731590

Copy to clipboard


                    2020.  
"Materials Data on Fe3(Ni10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731590.  https://www.osti.gov/servlets/purl/1731590. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1731590,

  title        = {Materials Data on Fe3(Ni10B3)2 by Materials Project},

  
  abstractNote = {Fe3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Fe–Ni bond lengths are 2.50 Å. In the second Fe site, Fe is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Fe–Ni bond lengths are 2.41 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Fe and two equivalent B atoms. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to one Fe and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiFeB3 tetrahedra. All Ni–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.},

  doi          = {10.17188/1731590},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1731590

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg3(Ni10B3)2 by Materials Project

Dataset

Mg3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to sixteen Ni atoms to form distorted MgNi16 tetrahedra that share edges with six equivalent MgNi16 tetrahedra, edges with twelve equivalent NiMgNi6B3 tetrahedra, faces with four equivalent MgNi12 cuboctahedra, and faces with four equivalent NiMgNi6B3 tetrahedra. There are four shorter (2.48 Å) and twelve longer (2.90 Å) Mg–Ni bond lengths. In the second Mg site, Mg is bonded to twelve equivalent Ni atoms to form MgNi12 cuboctahedra that share edges with twenty-four equivalent NiMgNi6B3more »« less
Materials Data on Zn3(Ni10B3)2 by Materials Project

Dataset

Zn3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Zn and two equivalent B atoms. The Ni–Zn bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded to one Zn and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiZnB3 tetrahedra. The Ni–Zn bond length is 2.42 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Zn sites. Inmore »« less
Materials Data on Ga3(Ni10B3)2 by Materials Project

Dataset

Ga3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ga and two equivalent B atoms. The Ni–Ga bond length is 2.50 Å. Both Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded to one Ga and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiGaB3 tetrahedra. The Ni–Ga bond length is 2.41 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Ga sites. Inmore »« less
Materials Data on Al3(Ni10B3)2 by Materials Project

Dataset

Ni20Al3B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to nine Ni, three Al, and two equivalent B atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.61 Å. There are one shorter (2.50 Å) and two longer (2.88 Å) Ni–Al bond lengths. Both Ni–B bond lengths are 2.08 Å. In the second Ni site, Ni is bonded to six equivalent Ni, one Al, and three equivalent B atoms to form NiAlNi6B3 tetrahedra that share corners withmore »« less
Materials Data on V3(Ni10B3)2 by Materials Project

Dataset

V3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All V–Ni bond lengths are 2.51 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All V–Ni bond lengths are 2.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing NiVB3 tetrahedra. Allmore »« less

Similar Records