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Title: Materials Data on DyPS4 by Materials Project

Abstract

DyPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Dy–S bond lengths. In the second Dy3+ site, Dy3+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are four shorter (2.90 Å) and four longer (2.91 Å) Dy–S bond lengths. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Dy3+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Dy3+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-5241
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; DyPS4; Dy-P-S
OSTI Identifier:
1263159
DOI:
10.17188/1263159

Citation Formats

The Materials Project. Materials Data on DyPS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263159.
The Materials Project. Materials Data on DyPS4 by Materials Project. United States. doi:10.17188/1263159.
The Materials Project. 2020. "Materials Data on DyPS4 by Materials Project". United States. doi:10.17188/1263159. https://www.osti.gov/servlets/purl/1263159. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1263159,
title = {Materials Data on DyPS4 by Materials Project},
author = {The Materials Project},
abstractNote = {DyPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Dy–S bond lengths. In the second Dy3+ site, Dy3+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are four shorter (2.90 Å) and four longer (2.91 Å) Dy–S bond lengths. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Dy3+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Dy3+ and one P5+ atom.},
doi = {10.17188/1263159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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