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Title: Materials Data on Nd2Te5 by Materials Project

Abstract

Nd2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Nd2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are five shorter (3.26 Å) and four longer (3.39 Å) Nd–Te bond lengths. In the second Nd2+ site, Nd2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are a spread of Nd–Te bond distances ranging from 3.29–3.37 Å. There are four inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Nd2+ atoms. In the second Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Nd2+ atoms. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to two equivalent Nd2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.14 Å. In the fourth Te+0.80- site, Te+0.80- is bonded in a 8-coordinate geometry to four equivalent Nd2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.14 Å.

Authors:
Publication Date:
Other Number(s):
mp-1119
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; Nd2Te5; Nd-Te
OSTI Identifier:
1187621
DOI:
https://doi.org/10.17188/1187621

Citation Formats

The Materials Project. Materials Data on Nd2Te5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187621.
The Materials Project. Materials Data on Nd2Te5 by Materials Project. United States. doi:https://doi.org/10.17188/1187621
The Materials Project. 2020. "Materials Data on Nd2Te5 by Materials Project". United States. doi:https://doi.org/10.17188/1187621. https://www.osti.gov/servlets/purl/1187621. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1187621,
title = {Materials Data on Nd2Te5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Nd2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are five shorter (3.26 Å) and four longer (3.39 Å) Nd–Te bond lengths. In the second Nd2+ site, Nd2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are a spread of Nd–Te bond distances ranging from 3.29–3.37 Å. There are four inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Nd2+ atoms. In the second Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Nd2+ atoms. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to two equivalent Nd2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.14 Å. In the fourth Te+0.80- site, Te+0.80- is bonded in a 8-coordinate geometry to four equivalent Nd2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.14 Å.},
doi = {10.17188/1187621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}