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Title: Materials Data on DyCuTe2 by Materials Project

Abstract

DyCuTe2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share corners with four equivalent CuTe4 tetrahedra, edges with six DyTe6 octahedra, and edges with four equivalent CuTe4 tetrahedra. There are four shorter (3.10 Å) and two longer (3.14 Å) Dy–Te bond lengths. In the second Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share corners with eight equivalent CuTe4 tetrahedra, edges with six DyTe6 octahedra, and edges with two equivalent CuTe4 tetrahedra. There are two shorter (3.04 Å) and four longer (3.08 Å) Dy–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six DyTe6 octahedra, corners with two equivalent CuTe4 tetrahedra, edges with three DyTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–56°. There are three shorter (2.60 Å) and one longer (2.68 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three Dy3+ and two equivalent Cu1+ atoms to formmore » a mixture of distorted corner and edge-sharing TeDy3Cu2 square pyramids. In the second Te2- site, Te2- is bonded to three Dy3+ and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing TeDy3Cu2 square pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-945779
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; DyCuTe2; Cu-Dy-Te
OSTI Identifier:
1313236
DOI:
https://doi.org/10.17188/1313236

Citation Formats

The Materials Project. Materials Data on DyCuTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313236.
The Materials Project. Materials Data on DyCuTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1313236
The Materials Project. 2020. "Materials Data on DyCuTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1313236. https://www.osti.gov/servlets/purl/1313236. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1313236,
title = {Materials Data on DyCuTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCuTe2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share corners with four equivalent CuTe4 tetrahedra, edges with six DyTe6 octahedra, and edges with four equivalent CuTe4 tetrahedra. There are four shorter (3.10 Å) and two longer (3.14 Å) Dy–Te bond lengths. In the second Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share corners with eight equivalent CuTe4 tetrahedra, edges with six DyTe6 octahedra, and edges with two equivalent CuTe4 tetrahedra. There are two shorter (3.04 Å) and four longer (3.08 Å) Dy–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six DyTe6 octahedra, corners with two equivalent CuTe4 tetrahedra, edges with three DyTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–56°. There are three shorter (2.60 Å) and one longer (2.68 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three Dy3+ and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing TeDy3Cu2 square pyramids. In the second Te2- site, Te2- is bonded to three Dy3+ and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing TeDy3Cu2 square pyramids.},
doi = {10.17188/1313236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}