Materials Data on Eu(Cu2As)2 by Materials Project

doi:10.17188/1187124

Title: Materials Data on Eu(Cu2As)2 by Materials Project

Dataset
Other Related Research

Abstract

Eu(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent As3- atoms to form edge-sharing EuAs6 octahedra. All Eu–As bond lengths are 3.04 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.47 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted single-bond geometry to four equivalent As3- atoms. There are one shorter (2.45 Å) and three longer (2.83 Å) Cu–As bond lengths. As3- is bonded in a 10-coordinate geometry to three equivalent Eu2+ and seven Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-10442

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; Eu(Cu2As)2; As-Cu-Eu

OSTI Identifier:: 1187124

DOI:: https://doi.org/10.17188/1187124

Citation Formats


                    The Materials Project. Materials Data on Eu(Cu2As)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187124.

Copy to clipboard


                    The Materials Project. Materials Data on Eu(Cu2As)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187124

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Eu(Cu2As)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187124.  https://www.osti.gov/servlets/purl/1187124. Pub date:Fri Jul 17 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1187124,

  title        = {Materials Data on Eu(Cu2As)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent As3- atoms to form edge-sharing EuAs6 octahedra. All Eu–As bond lengths are 3.04 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.47 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted single-bond geometry to four equivalent As3- atoms. There are one shorter (2.45 Å) and three longer (2.83 Å) Cu–As bond lengths. As3- is bonded in a 10-coordinate geometry to three equivalent Eu2+ and seven Cu1+ atoms.},

  doi          = {10.17188/1187124},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1187124

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ca(Cu2As)2 by Materials Project

Dataset The Materials Project

Ca(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent As3- atoms to form edge-sharing CaAs6 octahedra. All Ca–As bond lengths are 3.01 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted single-bond geometry to four equivalent As3- atoms. There are one shorter (2.46 Å) and three longer (2.81 Å) Cu–As bond lengths. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.46 Å. As3- is bonded inmore »« less
Materials Data on Ba(Cu2As)2 by Materials Project

Dataset The Materials Project

Ba(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent As3- atoms to form edge-sharing BaAs6 octahedra. All Ba–As bond lengths are 3.30 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.49 Å. In the second Cu1+ site, Cu1+ is bonded in a 1-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.46 Å) and three longer (2.79 Å) Cu–As bond lengths. As3- is bonded in amore »« less
Materials Data on Sr(Cu2As)2 by Materials Project

Dataset The Materials Project

Sr(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent As3- atoms to form edge-sharing SrAs6 octahedra. All Sr–As bond lengths are 3.14 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.48 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted single-bond geometry to four equivalent As3- atoms. There are one shorter (2.45 Å) and three longer (2.80 Å) Cu–As bond lengths. As3- is bonded inmore »« less
Materials Data on K(Cu2As)2 by Materials Project

Dataset The Materials Project

K(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent As3- atoms to form distorted edge-sharing KAs6 octahedra. All K–As bond lengths are 3.37 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 1-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.50 Å) and three longer (2.76 Å) Cu–As bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.44 Å. As3- is bonded inmore »« less
Materials Data on Ba(Cu2As)4 by Materials Project

Dataset The Materials Project

Ba(Cu2As)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.43 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 3-coordinate geometry to three equivalent As3- atoms. There are one shorter (2.44 Å) and two longer (2.51 Å) Cu–As bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.43–2.60 Å. As3- ismore »« less

Similar Records