Materials Data on CrFe3 by Materials Project

doi:10.17188/1350104

Title: Materials Data on CrFe3 by Materials Project

Dataset
Other Related Research

Abstract

CrFe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.46 Å) and six longer (2.84 Å) Cr–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Cr and eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1018067

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; CrFe3; Cr-Fe

OSTI Identifier:: 1350104

DOI:: https://doi.org/10.17188/1350104

Citation Formats


                    The Materials Project. Materials Data on CrFe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350104.

Copy to clipboard


                    The Materials Project. Materials Data on CrFe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350104

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CrFe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350104.  https://www.osti.gov/servlets/purl/1350104. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1350104,

  title        = {Materials Data on CrFe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrFe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.46 Å) and six longer (2.84 Å) Cr–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Cr and eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms.},

  doi          = {10.17188/1350104},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1350104

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CrFe3 by Materials Project

Dataset The Materials Project

CrFe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Fe atoms to form CrFe12 cuboctahedra that share corners with twelve equivalent CrFe12 cuboctahedra, edges with twenty-four equivalent FeCr4Fe8 cuboctahedra, faces with six equivalent CrFe12 cuboctahedra, and faces with twelve equivalent FeCr4Fe8 cuboctahedra. All Cr–Fe bond lengths are 2.52 Å. Fe is bonded to four equivalent Cr and eight equivalent Fe atoms to form FeCr4Fe8 cuboctahedra that share corners with twelve equivalent FeCr4Fe8 cuboctahedra, edges with eight equivalent CrFe12 cuboctahedra, edges with sixteen equivalent FeCr4Fe8 cuboctahedra, facesmore »« less
Materials Data on Y(CrFe3)3 by Materials Project

Dataset The Materials Project

Y(CrFe3)3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to three Cr and seventeen Fe atoms. There are two shorter (3.07 Å) and one longer (3.08 Å) Y–Cr bond lengths. There are a spread of Y–Fe bond distances ranging from 3.00–3.20 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 1-coordinate geometry to one Y, four equivalent Cr, and nine Fe atoms. All Cr–Cr bond lengths are 2.85 Å. There are a spread of Cr–Fe bond distances ranging from 2.30–2.61 Å. Inmore »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.
Materials Data on Sr2H5Rh by Materials Project

Dataset The Materials Project

Sr2RhH5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a distorted q6 geometry to ten H atoms. There are a spread of Sr–H bond distances ranging from 2.68–2.75 Å. Rh is bonded in a square pyramidal geometry to five H atoms. There is four shorter (1.69 Å) and one longer (1.80 Å) Rh–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr and one Rh atom to form a mixture of corner, edge, and face-sharing HSr4Rh square pyramids. In the second Hmore »« less

Similar Records