Materials Data on Th(MnAl2)4 by Materials Project

doi:10.17188/1728445

Title: Materials Data on Th(MnAl2)4 by Materials Project

Dataset
Other Related Research

Abstract

ThMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to eight equivalent Mn and twelve Al atoms to form a mixture of distorted face and corner-sharing ThMn8Al12 cuboctahedra. All Th–Mn bond lengths are 3.38 Å. There are four shorter (3.07 Å) and eight longer (3.17 Å) Th–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Th, two equivalent Mn, and eight Al atoms. Both Mn–Mn bond lengths are 2.48 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Th, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.82 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Th, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.80 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1104243

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; Th(MnAl2)4; Al-Mn-Th

OSTI Identifier:: 1728445

DOI:: https://doi.org/10.17188/1728445

Citation Formats


                    The Materials Project. Materials Data on Th(MnAl2)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1728445.

Copy to clipboard


                    The Materials Project. Materials Data on Th(MnAl2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728445

Copy to clipboard


                    The Materials Project. 2018.  
"Materials Data on Th(MnAl2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728445.  https://www.osti.gov/servlets/purl/1728445. Pub date:Wed Jul 18 00:00:00 EDT 2018

Copy to clipboard


                    
@article{osti_1728445,

  title        = {Materials Data on Th(MnAl2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to eight equivalent Mn and twelve Al atoms to form a mixture of distorted face and corner-sharing ThMn8Al12 cuboctahedra. All Th–Mn bond lengths are 3.38 Å. There are four shorter (3.07 Å) and eight longer (3.17 Å) Th–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Th, two equivalent Mn, and eight Al atoms. Both Mn–Mn bond lengths are 2.48 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Th, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.82 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Th, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.80 Å.},

  doi          = {10.17188/1728445},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1728445

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sc(MnAl2)4 by Materials Project

Dataset The Materials Project

Sc(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to twelve Al atoms. There are four shorter (2.87 Å) and eight longer (3.22 Å) Sc–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Mn and eight Al atoms. Both Mn–Mn bond lengths are 2.58 Å. There are four shorter (2.53 Å) and four longer (2.62 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Sc, four equivalent Mn, and five Almore »« less
Materials Data on U(MnAl2)4 by Materials Project

Dataset The Materials Project

UMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Mn and twelve Al atoms. All U–Mn bond lengths are 3.36 Å. There are four shorter (2.99 Å) and eight longer (3.20 Å) U–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Mn, and eight Al atoms. Both Mn–Mn bond lengths are 2.56 Å. There are four shorter (2.55 Å) and four longer (2.66 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al ismore »« less
Materials Data on Ce(MnAl2)4 by Materials Project

Dataset The Materials Project

CeMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Mn and twelve Al atoms. All Ce–Mn bond lengths are 3.38 Å. There are four shorter (3.01 Å) and eight longer (3.27 Å) Ce–Al bond lengths. Mn is bonded to two equivalent Ce, two equivalent Mn, and eight Al atoms to form distorted MnCe2Mn2Al8 cuboctahedra that share corners with eight equivalent AlCe2Mn4Al6 cuboctahedra, corners with ten equivalent MnCe2Mn2Al8 cuboctahedra, edges with four equivalent MnCe2Mn2Al8 cuboctahedra, edges with four equivalent AlCe2Mn4Al6 cuboctahedra, faces with six equivalent MnCe2Mn2Al8 cuboctahedra, andmore »« less
Materials Data on Y(MnAl2)4 by Materials Project

Dataset The Materials Project

YMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded to eight equivalent Mn and twelve Al atoms to form distorted YMn8Al12 cuboctahedra that share corners with eight equivalent YMn8Al12 cuboctahedra, faces with two equivalent YMn8Al12 cuboctahedra, and faces with sixteen equivalent MnY2Mn2Al8 cuboctahedra. All Y–Mn bond lengths are 3.34 Å. There are four shorter (3.00 Å) and eight longer (3.13 Å) Y–Al bond lengths. Mn is bonded to two equivalent Y, two equivalent Mn, and eight Al atoms to form distorted MnY2Mn2Al8 cuboctahedra that share corners with ten equivalent MnY2Mn2Al8 cuboctahedra, edges with fourmore »« less
Materials Data on Ca(MnAl2)4 by Materials Project

Dataset The Materials Project

Ca(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to eight equivalent Mn and twelve Al atoms. All Ca–Mn bond lengths are 3.36 Å. There are four shorter (2.92 Å) and eight longer (3.28 Å) Ca–Al bond lengths. Mn is bonded to two equivalent Ca, two equivalent Mn, and eight Al atoms to form distorted MnCa2Mn2Al8 cuboctahedra that share corners with eight equivalent AlCa2Mn4Al6 cuboctahedra, corners with ten equivalent MnCa2Mn2Al8 cuboctahedra, edges with four equivalent MnCa2Mn2Al8 cuboctahedra, edges with four equivalent AlCa2Mn4Al6 cuboctahedra, faces with six equivalent MnCa2Mn2Al8 cuboctahedra, andmore »« less

Similar Records