Materials Data on Fe3Ni by Materials Project

doi:10.17188/1317499

Title: Materials Data on Fe3Ni by Materials Project

Dataset
Other Related Research

Abstract

Fe3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Ni atoms to form FeFe8Ni4 cuboctahedra that share corners with twelve equivalent FeFe8Ni4 cuboctahedra, edges with eight equivalent NiFe12 cuboctahedra, edges with sixteen equivalent FeFe8Ni4 cuboctahedra, faces with four equivalent NiFe12 cuboctahedra, and faces with fourteen equivalent FeFe8Ni4 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å. All Fe–Ni bond lengths are 2.53 Å. Ni is bonded to twelve equivalent Fe atoms to form NiFe12 cuboctahedra that share corners with twelve equivalent NiFe12 cuboctahedra, edges with twenty-four equivalent FeFe8Ni4 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with twelve equivalent FeFe8Ni4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-999189

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; Fe3Ni; Fe-Ni

OSTI Identifier:: 1317499

DOI:: https://doi.org/10.17188/1317499

Citation Formats


                    The Materials Project. Materials Data on Fe3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317499.

Copy to clipboard


                    The Materials Project. Materials Data on Fe3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1317499

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Fe3Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1317499.  https://www.osti.gov/servlets/purl/1317499. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1317499,

  title        = {Materials Data on Fe3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Ni atoms to form FeFe8Ni4 cuboctahedra that share corners with twelve equivalent FeFe8Ni4 cuboctahedra, edges with eight equivalent NiFe12 cuboctahedra, edges with sixteen equivalent FeFe8Ni4 cuboctahedra, faces with four equivalent NiFe12 cuboctahedra, and faces with fourteen equivalent FeFe8Ni4 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å. All Fe–Ni bond lengths are 2.53 Å. Ni is bonded to twelve equivalent Fe atoms to form NiFe12 cuboctahedra that share corners with twelve equivalent NiFe12 cuboctahedra, edges with twenty-four equivalent FeFe8Ni4 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with twelve equivalent FeFe8Ni4 cuboctahedra.},

  doi          = {10.17188/1317499},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1317499

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Fe3Ni(PO4)4 by Materials Project

Dataset The Materials Project

Fe3Ni(PO4)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with four equivalent FeO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Fe–O bond distances ranging from 1.95–2.16 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent NiO6 octahedra, corners withmore »« less
Materials Data on Fe3Ni by Materials Project

Dataset The Materials Project

Fe3Ni is alpha bismuth trifluoride structured and 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 distorted body-centered cubic geometry to four equivalent Fe and four equivalent Ni atoms. All Fe–Fe bond lengths are 2.47 Å. All Fe–Ni bond lengths are 2.47 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six equivalent Ni atoms. All Fe–Ni bond lengths are 2.85 Å. Ni is bonded in a distorted body-centered cubic geometry to fourteenmore » Fe atoms.« less
Materials Data on Fe3Ni by Materials Project

Dataset The Materials Project

Fe3Ni is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight equivalent Fe and four equivalent Ni atoms to form FeFe8Ni4 cuboctahedra that share corners with four equivalent FeFe8Ni4 cuboctahedra, corners with eight equivalent NiFe12 cuboctahedra, edges with twenty-four FeFe8Ni4 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with twelve FeFe8Ni4 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. All Fe–Ni bond lengths are 2.49 Å. In the second Fe site, Fe is bonded to eight Femore »« less
Materials Data on Fe3Ni by Materials Project

Dataset The Materials Project

Fe3Ni crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six Fe and two equivalent Ni atoms. There are four shorter (2.46 Å) and two longer (2.47 Å) Fe–Fe bond lengths. Both Fe–Ni bond lengths are 2.46 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.46 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Ni atoms.more » All Ni–Ni bond lengths are 2.46 Å.« less
Materials Data on Fe3Ni(Mo3N)2 by Materials Project

Dataset The Materials Project

Fe3Ni(Mo3N)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted bent 150 degrees geometry to five Fe, one Ni, and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.73–2.85 Å. The Mo–Ni bond length is 2.75 Å. Both Mo–N bond lengths are 2.10 Å. In the second Mo site, Mo is bonded in a distorted bent 150 degrees geometry to four Fe, two equivalent Ni, and two equivalent N atoms. There are a spread ofmore »« less

Similar Records