Materials Data on TaCo3 by Materials Project

doi:10.17188/1737894

Title: Materials Data on TaCo3 by Materials Project

Dataset
Other Related Research

Abstract

Co3Ta is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve Co atoms to form TaCo12 cuboctahedra that share corners with six equivalent TaCo12 cuboctahedra, corners with twelve CoTa4Co8 cuboctahedra, edges with eighteen CoTa4Co8 cuboctahedra, faces with eight equivalent TaCo12 cuboctahedra, and faces with twelve CoTa4Co8 cuboctahedra. There are six shorter (2.60 Å) and six longer (2.62 Å) Ta–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ta and eight equivalent Co atoms to form distorted CoTa4Co8 cuboctahedra that share corners with four equivalent TaCo12 cuboctahedra, corners with fourteen CoTa4Co8 cuboctahedra, edges with six equivalent TaCo12 cuboctahedra, edges with twelve equivalent CoTa4Co8 cuboctahedra, faces with four equivalent TaCo12 cuboctahedra, and faces with sixteen CoTa4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.46–2.72 Å. In the second Co site, Co is bonded to four equivalent Ta and eight Co atoms to form distorted CoTa4Co8 cuboctahedra that share corners with four equivalent TaCo12 cuboctahedra, corners with fourteen CoTa4Co8 cuboctahedra, edges with six equivalent TaCo12 cuboctahedra, edges with twelve CoTa4Co8 cuboctahedra, faces with four equivalent TaCo12 cuboctahedra,more »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1095124

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; TaCo3; Co-Ta

OSTI Identifier:: 1737894

DOI:: https://doi.org/10.17188/1737894

Citation Formats


                    The Materials Project. Materials Data on TaCo3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1737894.

Copy to clipboard


                    The Materials Project. Materials Data on TaCo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1737894

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on TaCo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1737894.  https://www.osti.gov/servlets/purl/1737894. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1737894,

  title        = {Materials Data on TaCo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co3Ta is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve Co atoms to form TaCo12 cuboctahedra that share corners with six equivalent TaCo12 cuboctahedra, corners with twelve CoTa4Co8 cuboctahedra, edges with eighteen CoTa4Co8 cuboctahedra, faces with eight equivalent TaCo12 cuboctahedra, and faces with twelve CoTa4Co8 cuboctahedra. There are six shorter (2.60 Å) and six longer (2.62 Å) Ta–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ta and eight equivalent Co atoms to form distorted CoTa4Co8 cuboctahedra that share corners with four equivalent TaCo12 cuboctahedra, corners with fourteen CoTa4Co8 cuboctahedra, edges with six equivalent TaCo12 cuboctahedra, edges with twelve equivalent CoTa4Co8 cuboctahedra, faces with four equivalent TaCo12 cuboctahedra, and faces with sixteen CoTa4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.46–2.72 Å. In the second Co site, Co is bonded to four equivalent Ta and eight Co atoms to form distorted CoTa4Co8 cuboctahedra that share corners with four equivalent TaCo12 cuboctahedra, corners with fourteen CoTa4Co8 cuboctahedra, edges with six equivalent TaCo12 cuboctahedra, edges with twelve CoTa4Co8 cuboctahedra, faces with four equivalent TaCo12 cuboctahedra, and faces with sixteen CoTa4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.46–2.72 Å.},

  doi          = {10.17188/1737894},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1737894

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on TaCo3 by Materials Project

Dataset The Materials Project

Co3Ta is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Co atoms to form TaCo12 cuboctahedra that share corners with twelve equivalent TaCo12 cuboctahedra, edges with twenty-four equivalent CoTa4Co8 cuboctahedra, faces with six equivalent TaCo12 cuboctahedra, and faces with twelve equivalent CoTa4Co8 cuboctahedra. All Ta–Co bond lengths are 2.57 Å. Co is bonded to four equivalent Ta and eight equivalent Co atoms to form CoTa4Co8 cuboctahedra that share corners with twelve equivalent CoTa4Co8 cuboctahedra, edges with eight equivalent TaCo12 cuboctahedra, edges with sixteen equivalent CoTa4Co8 cuboctahedra, facesmore »« less
Materials Data on TaCo3 by Materials Project

Dataset The Materials Project

Co3Ta is beta Cu3Ti-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to twelve Co atoms to form TaCo12 cuboctahedra that share corners with six equivalent TaCo12 cuboctahedra, corners with twelve CoTa4Co8 cuboctahedra, edges with eighteen CoTa4Co8 cuboctahedra, faces with eight equivalent TaCo12 cuboctahedra, and faces with twelve CoTa4Co8 cuboctahedra. There are six shorter (2.58 Å) and six longer (2.60 Å) Ta–Co bond lengths. In the second Ta site, Ta is bonded to twelve Co atoms to form TaCo12 cuboctahedra thatmore »« less
Materials Data on TaCo3 by Materials Project

Dataset The Materials Project

Co3Ta crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to fifteen Co atoms. There are a spread of Ta–Co bond distances ranging from 2.64–2.83 Å. In the second Ta site, Ta is bonded in a 12-coordinate geometry to three equivalent Ta and twelve Co atoms. All Ta–Ta bond lengths are 2.99 Å. There are a spread of Ta–Co bond distances ranging from 2.73–2.79 Å. In the third Ta site, Ta is bonded in a 10-coordinate geometry to three equivalentmore »« less
Materials Data on TaCo3 by Materials Project

Dataset The Materials Project

Co3Ta crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Co atoms. There are one shorter (2.81 Å) and three longer (2.91 Å) Ta–Ta bond lengths. There are a spread of Ta–Co bond distances ranging from 2.74–2.81 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to fifteen Co atoms. There are a spread of Ta–Co bond distances ranging from 2.65–2.88 Å. In the third Ta site, Ta is bonded 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

Similar Records