skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsNd5Se8 by Materials Project

Abstract

CsNd5Se8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted hexagonal bipyramidal geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.40 Å) Cs–Se bond lengths. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.96–3.41 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.02 Å) and four longer (3.21 Å) Nd–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to one Cs1+ and five Nd3+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to one Cs1+ and five Nd3+ atoms.

Publication Date:
Other Number(s):
mp-38442
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; CsNd5Se8; Cs-Nd-Se
OSTI Identifier:
1207523
DOI:
10.17188/1207523

Citation Formats

The Materials Project. Materials Data on CsNd5Se8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207523.
The Materials Project. Materials Data on CsNd5Se8 by Materials Project. United States. doi:10.17188/1207523.
The Materials Project. 2020. "Materials Data on CsNd5Se8 by Materials Project". United States. doi:10.17188/1207523. https://www.osti.gov/servlets/purl/1207523. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207523,
title = {Materials Data on CsNd5Se8 by Materials Project},
author = {The Materials Project},
abstractNote = {CsNd5Se8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted hexagonal bipyramidal geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.40 Å) Cs–Se bond lengths. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.96–3.41 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.02 Å) and four longer (3.21 Å) Nd–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to one Cs1+ and five Nd3+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to one Cs1+ and five Nd3+ atoms.},
doi = {10.17188/1207523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: