Materials Data on Lu(CrFe5)2 by Materials Project

doi:10.17188/1719907

Title: Materials Data on Lu(CrFe5)2 by Materials Project

Dataset
Other Related Research

Abstract

Lu(CrFe5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Lu–Cr bond lengths are 3.09 Å. There are a spread of Lu–Fe bond distances ranging from 2.98–3.17 Å. Cr is bonded in a 9-coordinate geometry to one Lu, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.22 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.84 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Lu, two equivalent Cr, and eight Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeLu2Cr2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.41–2.65 Å. In the second Fe site, Fe is bonded to two equivalent Lu, two equivalent Cr, and eight Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeLu2Cr2Fe8 cuboctahedra. There are four shorter (2.39 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Lu, two equivalent Cr, and eight Fe atoms to form a mixture of distortedmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1222431

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; Lu(CrFe5)2; Cr-Fe-Lu

OSTI Identifier:: 1719907

DOI:: https://doi.org/10.17188/1719907

Citation Formats


                    The Materials Project. Materials Data on Lu(CrFe5)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1719907.

Copy to clipboard


                    The Materials Project. Materials Data on Lu(CrFe5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719907

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on Lu(CrFe5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719907.  https://www.osti.gov/servlets/purl/1719907. Pub date:Sat Jan 12 00:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1719907,

  title        = {Materials Data on Lu(CrFe5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu(CrFe5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Lu–Cr bond lengths are 3.09 Å. There are a spread of Lu–Fe bond distances ranging from 2.98–3.17 Å. Cr is bonded in a 9-coordinate geometry to one Lu, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.22 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.84 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Lu, two equivalent Cr, and eight Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeLu2Cr2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.41–2.65 Å. In the second Fe site, Fe is bonded to two equivalent Lu, two equivalent Cr, and eight Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeLu2Cr2Fe8 cuboctahedra. There are four shorter (2.39 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Lu, two equivalent Cr, and eight Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeLu2Cr2Fe8 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.56 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Lu, four equivalent Cr, and nine Fe atoms. The Fe–Fe bond length is 2.35 Å.},

  doi          = {10.17188/1719907},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1719907

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Tb(CrFe5)2 by Materials Project

Dataset The Materials Project

TbFe10Cr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Tb–Cr bond lengths are 3.11 Å. There are a spread of Tb–Fe bond distances ranging from 3.01–3.20 Å. Cr is bonded in a 9-coordinate geometry to one Tb, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.23 Å. There are a spread of Cr–Fe bond distances ranging from 2.55–2.84 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry tomore »« less
Materials Data on Sm(CrFe5)2 by Materials Project

Dataset The Materials Project

Sm(CrFe5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Sm–Cr bond lengths are 3.13 Å. There are a spread of Sm–Fe bond distances ranging from 3.03–3.21 Å. Cr is bonded in a 9-coordinate geometry to one Sm, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.24 Å. There are a spread of Cr–Fe bond distances ranging from 2.55–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, twomore »« less
Materials Data on Ho(CrFe5)2 by Materials Project

Dataset The Materials Project

Ho(CrFe5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Ho–Cr bond lengths are 3.10 Å. There are a spread of Ho–Fe bond distances ranging from 3.00–3.19 Å. Cr is bonded in a 9-coordinate geometry to one Ho, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.23 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, twomore »« less
Materials Data on Er(CrFe5)2 by Materials Project

Dataset The Materials Project

ErFe10Cr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Er–Cr bond lengths are 3.09 Å. There are a spread of Er–Fe bond distances ranging from 3.00–3.19 Å. Cr is bonded in a 9-coordinate geometry to one Er, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.24 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, twomore »« less
Materials Data on Dy(CrFe5)2 by Materials Project

Dataset The Materials Project

DyFe10Cr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Dy–Cr bond lengths are 3.11 Å. There are a spread of Dy–Fe bond distances ranging from 3.01–3.20 Å. Cr is bonded in a 9-coordinate geometry to one Dy, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.24 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry tomore »« less

Similar Records