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Title: Materials Data on DyVSb3 by Materials Project

Abstract

DyVSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine Sb+2.67- atoms. There are a spread of Dy–Sb bond distances ranging from 3.17–3.36 Å. V5+ is bonded to six Sb+2.67- atoms to form a mixture of corner, edge, and face-sharing VSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of V–Sb bond distances ranging from 2.71–2.75 Å. There are three inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 5-coordinate geometry to one Dy3+, four equivalent V5+, and one Sb+2.67- atom. The Sb–Sb bond length is 3.19 Å. In the second Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four equivalent Dy3+, two equivalent V5+, and one Sb+2.67- atom. In the third Sb+2.67- site, Sb+2.67- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four equivalent Sb+2.67- atoms. There are two shorter (2.98 Å) and two longer (3.13 Å) Sb–Sb bond lengths.

Publication Date:
Other Number(s):
mp-1181506
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; DyVSb3; Dy-Sb-V
OSTI Identifier:
1685695
DOI:
https://doi.org/10.17188/1685695

Citation Formats

The Materials Project. Materials Data on DyVSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685695.
The Materials Project. Materials Data on DyVSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1685695
The Materials Project. 2020. "Materials Data on DyVSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1685695. https://www.osti.gov/servlets/purl/1685695. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685695,
title = {Materials Data on DyVSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {DyVSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine Sb+2.67- atoms. There are a spread of Dy–Sb bond distances ranging from 3.17–3.36 Å. V5+ is bonded to six Sb+2.67- atoms to form a mixture of corner, edge, and face-sharing VSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of V–Sb bond distances ranging from 2.71–2.75 Å. There are three inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 5-coordinate geometry to one Dy3+, four equivalent V5+, and one Sb+2.67- atom. The Sb–Sb bond length is 3.19 Å. In the second Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four equivalent Dy3+, two equivalent V5+, and one Sb+2.67- atom. In the third Sb+2.67- site, Sb+2.67- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four equivalent Sb+2.67- atoms. There are two shorter (2.98 Å) and two longer (3.13 Å) Sb–Sb bond lengths.},
doi = {10.17188/1685695},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}