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Title: Materials Data on KNd3Te8 by Materials Project

Abstract

KNd3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.95 Å. There are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.34 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.44 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.22–3.33 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two Nd3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.02–3.30 Å. In the second Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fourth Te+1.25-more » site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fifth Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent K1+, two Nd3+, and two equivalent Te+1.25- atoms. In the sixth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two equivalent Nd3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 2.91–3.41 Å. In the seventh Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Nd3+, and three Te+1.25- atoms. In the eighth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Nd3+, and three Te+1.25- atoms.« less

Publication Date:
Other Number(s):
mp-669359
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; KNd3Te8; K-Nd-Te
OSTI Identifier:
1281593
DOI:
10.17188/1281593

Citation Formats

The Materials Project. Materials Data on KNd3Te8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281593.
The Materials Project. Materials Data on KNd3Te8 by Materials Project. United States. doi:10.17188/1281593.
The Materials Project. 2020. "Materials Data on KNd3Te8 by Materials Project". United States. doi:10.17188/1281593. https://www.osti.gov/servlets/purl/1281593. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281593,
title = {Materials Data on KNd3Te8 by Materials Project},
author = {The Materials Project},
abstractNote = {KNd3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.95 Å. There are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.34 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.44 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.22–3.33 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two Nd3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.02–3.30 Å. In the second Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fourth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fifth Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent K1+, two Nd3+, and two equivalent Te+1.25- atoms. In the sixth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two equivalent Nd3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 2.91–3.41 Å. In the seventh Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Nd3+, and three Te+1.25- atoms. In the eighth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Nd3+, and three Te+1.25- atoms.},
doi = {10.17188/1281593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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