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Title: Materials Data on DyPS by Materials Project

Abstract

DyPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. All Dy–P bond lengths are 3.10 Å. There are a spread of Dy–S bond distances ranging from 2.77–2.90 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.91 Å) and two longer (3.09 Å) Dy–P bond lengths. There are a spread of Dy–S bond distances ranging from 2.74–2.84 Å. P1- is bonded in a distorted hexagonal planar geometry to four Dy3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.28 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1192185
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; DyPS; Dy-P-S
OSTI Identifier:
1685566
DOI:
https://doi.org/10.17188/1685566

Citation Formats

The Materials Project. Materials Data on DyPS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685566.
The Materials Project. Materials Data on DyPS by Materials Project. United States. doi:https://doi.org/10.17188/1685566
The Materials Project. 2020. "Materials Data on DyPS by Materials Project". United States. doi:https://doi.org/10.17188/1685566. https://www.osti.gov/servlets/purl/1685566. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1685566,
title = {Materials Data on DyPS by Materials Project},
author = {The Materials Project},
abstractNote = {DyPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. All Dy–P bond lengths are 3.10 Å. There are a spread of Dy–S bond distances ranging from 2.77–2.90 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.91 Å) and two longer (3.09 Å) Dy–P bond lengths. There are a spread of Dy–S bond distances ranging from 2.74–2.84 Å. P1- is bonded in a distorted hexagonal planar geometry to four Dy3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.28 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy5 trigonal bipyramids.},
doi = {10.17188/1685566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}