Materials Data on Pr(Al2Cr)4 by Materials Project

doi:10.17188/1662591

Title: Materials Data on Pr(Al2Cr)4 by Materials Project

Dataset
Other Related Research

Abstract

PrCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Pr–Cr bond lengths are 3.43 Å. There are four shorter (3.08 Å) and eight longer (3.25 Å) Pr–Al bond lengths. Cr is bonded to two equivalent Pr, two equivalent Cr, and eight Al atoms to form distorted CrPr2Al8Cr2 cuboctahedra that share corners with eight equivalent AlPr2Al6Cr4 cuboctahedra, corners with ten equivalent CrPr2Al8Cr2 cuboctahedra, edges with four equivalent CrPr2Al8Cr2 cuboctahedra, edges with four equivalent AlPr2Al6Cr4 cuboctahedra, faces with six equivalent CrPr2Al8Cr2 cuboctahedra, and faces with eight equivalent AlPr2Al6Cr4 cuboctahedra. Both Cr–Cr bond lengths are 2.53 Å. There are four shorter (2.59 Å) and four longer (2.71 Å) Cr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Pr, four equivalent Cr, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–2.86 Å. In the second Al site, Al is bonded to two equivalent Pr, four equivalent Cr, and six Al atoms to form distorted AlPr2Al6Cr4 cuboctahedra that share corners with eight equivalent CrPr2Al8Cr2 cuboctahedra, cornersmore »« less

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104490

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; Pr(Al2Cr)4; Al-Cr-Pr

OSTI Identifier:: 1662591

DOI:: https://doi.org/10.17188/1662591

Citation Formats


                    The Materials Project. Materials Data on Pr(Al2Cr)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1662591.

Copy to clipboard


                    The Materials Project. Materials Data on Pr(Al2Cr)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662591

Copy to clipboard


                    The Materials Project. 2018.  
"Materials Data on Pr(Al2Cr)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662591.  https://www.osti.gov/servlets/purl/1662591. Pub date:Wed Jul 18 00:00:00 EDT 2018

Copy to clipboard


                    
@article{osti_1662591,

  title        = {Materials Data on Pr(Al2Cr)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Pr–Cr bond lengths are 3.43 Å. There are four shorter (3.08 Å) and eight longer (3.25 Å) Pr–Al bond lengths. Cr is bonded to two equivalent Pr, two equivalent Cr, and eight Al atoms to form distorted CrPr2Al8Cr2 cuboctahedra that share corners with eight equivalent AlPr2Al6Cr4 cuboctahedra, corners with ten equivalent CrPr2Al8Cr2 cuboctahedra, edges with four equivalent CrPr2Al8Cr2 cuboctahedra, edges with four equivalent AlPr2Al6Cr4 cuboctahedra, faces with six equivalent CrPr2Al8Cr2 cuboctahedra, and faces with eight equivalent AlPr2Al6Cr4 cuboctahedra. Both Cr–Cr bond lengths are 2.53 Å. There are four shorter (2.59 Å) and four longer (2.71 Å) Cr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Pr, four equivalent Cr, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–2.86 Å. In the second Al site, Al is bonded to two equivalent Pr, four equivalent Cr, and six Al atoms to form distorted AlPr2Al6Cr4 cuboctahedra that share corners with eight equivalent CrPr2Al8Cr2 cuboctahedra, corners with ten equivalent AlPr2Al6Cr4 cuboctahedra, edges with three equivalent AlPr2Al6Cr4 cuboctahedra, edges with four equivalent CrPr2Al8Cr2 cuboctahedra, faces with seven equivalent AlPr2Al6Cr4 cuboctahedra, and faces with eight equivalent CrPr2Al8Cr2 cuboctahedra. Both Al–Al bond lengths are 2.89 Å.},

  doi          = {10.17188/1662591},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1662591

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Th(Al2Cr)4 by Materials Project

Dataset The Materials Project

ThCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Th–Cr bond lengths are 3.43 Å. There are four shorter (3.11 Å) and eight longer (3.22 Å) Th–Al bond lengths. Cr is bonded to two equivalent Th, two equivalent Cr, and eight Al atoms to form distorted CrTh2Al8Cr2 cuboctahedra that share corners with eight equivalent AlTh2Al6Cr4 cuboctahedra, corners with ten equivalent CrTh2Al8Cr2 cuboctahedra, edges with four equivalent CrTh2Al8Cr2 cuboctahedra, edges with four equivalent AlTh2Al6Cr4 cuboctahedra, faces with six equivalent CrTh2Al8Cr2 cuboctahedra, andmore »« less
Materials Data on Y(Al2Cr)4 by Materials Project

Dataset The Materials Project

Al8Cr4Y crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Y–Cr bond lengths are 3.40 Å. There are four shorter (3.01 Å) and eight longer (3.21 Å) Y–Al bond lengths. Cr is bonded to two equivalent Y, two equivalent Cr, and eight Al atoms to form distorted CrY2Al8Cr2 cuboctahedra that share corners with eight equivalent AlY2Al6Cr4 cuboctahedra, corners with ten equivalent CrY2Al8Cr2 cuboctahedra, edges with four equivalent CrY2Al8Cr2 cuboctahedra, edges with four equivalent AlY2Al6Cr4 cuboctahedra, faces with six equivalent CrY2Al8Cr2 cuboctahedra, andmore »« less
Materials Data on Gd(Al2Cr)4 by Materials Project

Dataset The Materials Project

Gd(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Gd–Cr bond lengths are 3.41 Å. There are four shorter (3.03 Å) and eight longer (3.21 Å) Gd–Al bond lengths. Cr is bonded to two equivalent Gd, two equivalent Cr, and eight Al atoms to form distorted CrGd2Al8Cr2 cuboctahedra that share corners with eight equivalent AlGd2Al6Cr4 cuboctahedra, corners with ten equivalent CrGd2Al8Cr2 cuboctahedra, edges with four equivalent CrGd2Al8Cr2 cuboctahedra, edges with four equivalent AlGd2Al6Cr4 cuboctahedra, faces with six equivalent CrGd2Al8Cr2 cuboctahedra, andmore »« less
Materials Data on U(Al2Cr)4 by Materials Project

Dataset The Materials Project

UCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All U–Cr bond lengths are 3.38 Å. There are four shorter (3.03 Å) and eight longer (3.15 Å) U–Al bond lengths. Cr is bonded to two equivalent U, two equivalent Cr, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing CrU2Al8Cr2 cuboctahedra. Both Cr–Cr bond lengths are 2.50 Å. There are four shorter (2.56 Å) and four longer (2.67 Å) Cr–Al bond lengths. There are two inequivalent Almore »« less
Materials Data on Tm(Al2Cr)4 by Materials Project

Dataset The Materials Project

Tm(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Tm–Cr bond lengths are 3.39 Å. There are four shorter (2.98 Å) and eight longer (3.20 Å) Tm–Al bond lengths. Cr is bonded to two equivalent Tm, two equivalent Cr, and eight Al atoms to form distorted CrTm2Al8Cr2 cuboctahedra that share corners with eight equivalent AlTm2Al6Cr4 cuboctahedra, corners with ten equivalent CrTm2Al8Cr2 cuboctahedra, edges with four equivalent CrTm2Al8Cr2 cuboctahedra, edges with four equivalent AlTm2Al6Cr4 cuboctahedra, faces with six equivalent CrTm2Al8Cr2 cuboctahedra, andmore »« less

Similar Records