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Title: Materials Data on DySI by Materials Project

Abstract

DySI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one DySI sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to four equivalent S2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing DyS4I2 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two shorter (2.73 Å) and two longer (2.74 Å) Dy–S bond lengths. Both Dy–I bond lengths are 3.06 Å. S2- is bonded to four equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy4 trigonal pyramids. I1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.

Publication Date:
Other Number(s):
mp-28929
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; DySI; Dy-I-S
OSTI Identifier:
1202998
DOI:
https://doi.org/10.17188/1202998

Citation Formats

The Materials Project. Materials Data on DySI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202998.
The Materials Project. Materials Data on DySI by Materials Project. United States. doi:https://doi.org/10.17188/1202998
The Materials Project. 2020. "Materials Data on DySI by Materials Project". United States. doi:https://doi.org/10.17188/1202998. https://www.osti.gov/servlets/purl/1202998. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1202998,
title = {Materials Data on DySI by Materials Project},
author = {The Materials Project},
abstractNote = {DySI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one DySI sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to four equivalent S2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing DyS4I2 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two shorter (2.73 Å) and two longer (2.74 Å) Dy–S bond lengths. Both Dy–I bond lengths are 3.06 Å. S2- is bonded to four equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy4 trigonal pyramids. I1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.},
doi = {10.17188/1202998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}