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Title: Materials Data on Ba(DyTe2)2 by Materials Project

Abstract

Ba(DyTe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.56–3.75 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing DyTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Dy–Te bond distances ranging from 3.06–3.14 Å. In the second Dy3+ site, Dy3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing DyTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Dy–Te bond distances ranging from 3.06–3.13 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ba2+ and three Dy3+ atoms to form a mixture of distorted corner and edge-sharing TeBa2Dy3 trigonal bipyramids. In the second Te2- site, Te2- is bonded to two equivalent Ba2+ and three equivalent Dy3+ atoms to form a mixture of distorted corner and edge-sharing TeBa2Dy3 square pyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometrymore » to two equivalent Ba2+ and three Dy3+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Dy3+ atoms.« less

Publication Date:
Other Number(s):
mp-17927
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ba(DyTe2)2; Ba-Dy-Te
OSTI Identifier:
1192780
DOI:
https://doi.org/10.17188/1192780

Citation Formats

The Materials Project. Materials Data on Ba(DyTe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192780.
The Materials Project. Materials Data on Ba(DyTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1192780
The Materials Project. 2020. "Materials Data on Ba(DyTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1192780. https://www.osti.gov/servlets/purl/1192780. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1192780,
title = {Materials Data on Ba(DyTe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(DyTe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.56–3.75 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing DyTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Dy–Te bond distances ranging from 3.06–3.14 Å. In the second Dy3+ site, Dy3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing DyTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Dy–Te bond distances ranging from 3.06–3.13 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ba2+ and three Dy3+ atoms to form a mixture of distorted corner and edge-sharing TeBa2Dy3 trigonal bipyramids. In the second Te2- site, Te2- is bonded to two equivalent Ba2+ and three equivalent Dy3+ atoms to form a mixture of distorted corner and edge-sharing TeBa2Dy3 square pyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Dy3+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Dy3+ atoms.},
doi = {10.17188/1192780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}