Materials Data on Dy2MgS4 by Materials Project
Abstract
MgDy2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 trigonal pyramids that share corners with three equivalent DyS6 pentagonal pyramids and a faceface with one DyS6 pentagonal pyramid. There are a spread of Mg–S bond distances ranging from 2.34–2.48 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Dy–S bond distances ranging from 2.69–3.24 Å. In the second Dy3+ site, Dy3+ is bonded to six S2- atoms to form distorted DyS6 pentagonal pyramids that share corners with three equivalent MgS4 trigonal pyramids, edges with two equivalent DyS6 pentagonal pyramids, and a faceface with one MgS4 trigonal pyramid. There are a spread of Dy–S bond distances ranging from 2.59–2.86 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Dy3+ atoms. In the second S2- site, S2- is bonded in a T-shaped geometry to one Mg2+ and two Dy3+ atoms. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1232142
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Dy2MgS4; Dy-Mg-S
- OSTI Identifier:
- 1725395
- DOI:
- https://doi.org/10.17188/1725395
Citation Formats
The Materials Project. Materials Data on Dy2MgS4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1725395.
The Materials Project. Materials Data on Dy2MgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1725395
The Materials Project. 2019.
"Materials Data on Dy2MgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1725395. https://www.osti.gov/servlets/purl/1725395. Pub date:Wed Jan 16 00:00:00 EST 2019
@article{osti_1725395,
title = {Materials Data on Dy2MgS4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgDy2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 trigonal pyramids that share corners with three equivalent DyS6 pentagonal pyramids and a faceface with one DyS6 pentagonal pyramid. There are a spread of Mg–S bond distances ranging from 2.34–2.48 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Dy–S bond distances ranging from 2.69–3.24 Å. In the second Dy3+ site, Dy3+ is bonded to six S2- atoms to form distorted DyS6 pentagonal pyramids that share corners with three equivalent MgS4 trigonal pyramids, edges with two equivalent DyS6 pentagonal pyramids, and a faceface with one MgS4 trigonal pyramid. There are a spread of Dy–S bond distances ranging from 2.59–2.86 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Dy3+ atoms. In the second S2- site, S2- is bonded in a T-shaped geometry to one Mg2+ and two Dy3+ atoms. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Dy3+ atoms.},
doi = {10.17188/1725395},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jan 16 00:00:00 EST 2019},
month = {Wed Jan 16 00:00:00 EST 2019}
}