Materials Data on Tm(AlCu)6 by Materials Project

doi:10.17188/1694965

Title: Materials Data on Tm(AlCu)6 by Materials Project

Dataset
Other Related Research

Abstract

Tm(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.19 Å) and eight longer (3.29 Å) Tm–Cu bond lengths. There are a spread of Tm–Al bond distances ranging from 2.95–3.08 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, four Cu, and six Al atoms. There are two shorter (2.51 Å) and two longer (2.53 Å) Cu–Cu bond lengths. There are a spread of Cu–Al bond distances ranging from 2.51–2.63 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and six Al atoms. There are a spread of Cu–Al bond distances ranging from 2.61–2.73 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tm, six Cu, and three Al atoms. There are one shorter (2.62 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Tm, six Cu, andmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1216745

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; Tm(AlCu)6; Al-Cu-Tm

OSTI Identifier:: 1694965

DOI:: https://doi.org/10.17188/1694965

Citation Formats


                    The Materials Project. Materials Data on Tm(AlCu)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1694965.

Copy to clipboard


                    The Materials Project. Materials Data on Tm(AlCu)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1694965

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Tm(AlCu)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1694965.  https://www.osti.gov/servlets/purl/1694965. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1694965,

  title        = {Materials Data on Tm(AlCu)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.19 Å) and eight longer (3.29 Å) Tm–Cu bond lengths. There are a spread of Tm–Al bond distances ranging from 2.95–3.08 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, four Cu, and six Al atoms. There are two shorter (2.51 Å) and two longer (2.53 Å) Cu–Cu bond lengths. There are a spread of Cu–Al bond distances ranging from 2.51–2.63 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and six Al atoms. There are a spread of Cu–Al bond distances ranging from 2.61–2.73 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tm, six Cu, and three Al atoms. There are one shorter (2.62 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Tm, six Cu, and three Al atoms. There are one shorter (2.64 Å) and two longer (2.89 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, six Cu, and four Al atoms.},

  doi          = {10.17188/1694965},

  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/10.17188/1694965

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Er(AlCu)6 by Materials Project

Dataset The Materials Project

Er(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.19 Å) and eight longer (3.30 Å) Er–Cu bond lengths. There are a spread of Er–Al bond distances ranging from 2.95–3.13 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Er, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.54 Å) Cu–Cu bond lengths. There are a spread of Cu–Almore »« less
Materials Data on Tb(AlCu)6 by Materials Project

Dataset The Materials Project

Tb(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.20 Å) and eight longer (3.30 Å) Tb–Cu bond lengths. There are a spread of Tb–Al bond distances ranging from 2.97–3.10 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Tb, four Cu, and six Al atoms to form a mixture of distorted edge, face, and corner-sharing CuTb2Al6Cu4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.54 Å) Cu–Cumore »« less
Materials Data on Dy(AlCu)6 by Materials Project

Dataset The Materials Project

Dy(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.20 Å) and eight longer (3.30 Å) Dy–Cu bond lengths. There are a spread of Dy–Al bond distances ranging from 2.96–3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Cu–Cu bond lengths. There are two shorter (2.52 Å)more »« less
Materials Data on Yb(AlCu)6 by Materials Project

Dataset The Materials Project

Yb(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.19 Å) and eight longer (3.31 Å) Yb–Cu bond lengths. There are a spread of Yb–Al bond distances ranging from 2.97–3.10 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Yb, four Cu, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing CuYb2Al6Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.53 Å. There are a spread ofmore »« less
Materials Data on Y(AlCu)6 by Materials Project

Dataset The Materials Project

Y(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.21 Å) and eight longer (3.31 Å) Y–Cu bond lengths. There are a spread of Y–Al bond distances ranging from 2.97–3.10 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Y, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.54 Å) Cu–Cu bond lengths. There are a spread of Cu–Almore »« less

Similar Records