Materials Data on FeB2 by Materials Project

doi:10.17188/1275064

Title: Materials Data on FeB2 by Materials Project

Dataset
Other Related Research

Abstract

FeB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. All Fe–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to six equivalent Fe and three equivalent B atoms. All B–B bond lengths are 1.74 Å.

Publication Date:: Tue Jul 14 04:00:00 UTC 2020

Other Number(s):: mp-569376

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; FeB2; crystal structure

OSTI Identifier:: 1275064

DOI:: https://doi.org/10.17188/1275064

Citation Formats


                    Materials Data on FeB2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275064.

Copy to clipboard


                    Materials Data on FeB2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275064

Copy to clipboard


                    2020.  
"Materials Data on FeB2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275064.  https://www.osti.gov/servlets/purl/1275064. Pub date:Tue Jul 14 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1275064,

  title        = {Materials Data on FeB2 by Materials Project},

  
  abstractNote = {FeB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. All Fe–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to six equivalent Fe and three equivalent B atoms. All B–B bond lengths are 1.74 Å.},

  doi          = {10.17188/1275064},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 04:00:00 UTC 2020},

  month        = {Tue Jul 14 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1275064

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on FeB2 by Materials Project

Dataset

FeB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to ten equivalent B atoms. There are a spread of Fe–B bond distances ranging from 2.03–2.23 Å. B is bonded in a 9-coordinate geometry to five equivalent Fe and four equivalent B atoms. There are a spread of B–B bond distances ranging from 1.74–2.16 Å.
Materials Data on Tb4(FeB2)3 by Materials Project

Dataset

Tb4(FeB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Tb–B bond lengths are 2.64 Å. In the second Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Tb–B bond lengths are 2.62 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent Fe2+ atoms. Both Fe–Fe bond lengths are 2.50 Å. In the second Fe2+more »« less
Materials Data on Pr4(FeB2)3 by Materials Project

Dataset

(Pr2FeB3)2Fe crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three iron molecules and three Pr2FeB3 sheets oriented in the (0, 0, 1) direction. In each Pr2FeB3 sheet, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.75 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.73 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. Allmore »« less
Materials Data on Dy4(FeB2)3 by Materials Project

Dataset

Dy4(FeB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Dy–B bond lengths are 2.64 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Dy–B bond lengths are 2.62 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent Fe2+ atoms. Both Fe–Fe bond lengths are 2.47 Å. In the second Fe2+more »« less
Materials Data on Y4(FeB2)3 by Materials Project

Dataset

Y4(FeB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.65 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.63 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent Fe2+ atoms. Both Fe–Fe bond lengths are 2.49 Å. In the second Fe2+more »« less

Similar Records