Materials Data on Nd2S3 by Materials Project
Abstract
Nd2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.83–3.22 Å. In the second Nd3+ site, Nd3+ is bonded to eight S2- atoms to form a mixture of distorted edge, corner, and face-sharing NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.86–3.05 Å. In the third Nd3+ site, Nd3+ is bonded to eight S2- atoms to form a mixture of distorted edge, corner, and face-sharing NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.88–3.11 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SNd5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third S2- site, S2- is bonded to five Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SNd5 square pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-32586
- 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; Nd2S3; Nd-S
- OSTI Identifier:
- 1206317
- DOI:
- https://doi.org/10.17188/1206317
Citation Formats
The Materials Project. Materials Data on Nd2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206317.
The Materials Project. Materials Data on Nd2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1206317
The Materials Project. 2020.
"Materials Data on Nd2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1206317. https://www.osti.gov/servlets/purl/1206317. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1206317,
title = {Materials Data on Nd2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.83–3.22 Å. In the second Nd3+ site, Nd3+ is bonded to eight S2- atoms to form a mixture of distorted edge, corner, and face-sharing NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.86–3.05 Å. In the third Nd3+ site, Nd3+ is bonded to eight S2- atoms to form a mixture of distorted edge, corner, and face-sharing NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.88–3.11 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SNd5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third S2- site, S2- is bonded to five Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SNd5 square pyramids.},
doi = {10.17188/1206317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}