U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd4Te3N2 by Materials Project
Abstract
Nd4N2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and five Te2- atoms. There are one shorter (2.31 Å) and one longer (2.35 Å) Nd–N bond lengths. There are a spread of Nd–Te bond distances ranging from 3.34–3.55 Å. In the second Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent Te2- atoms. Both Nd–N bond lengths are 2.34 Å. There are two shorter (3.26 Å) and two longer (3.30 Å) Nd–Te bond lengths. In the third Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Te2- atoms. Both Nd–N bond lengths are 2.32 Å. There are a spread of Nd–Te bond distances ranging from 3.11–3.54 Å. N3- is bonded to four Nd3+ atoms to form NNd4 tetrahedra that share corners with four equivalent TeNd6 octahedra, an edgeedge with one TeNd6 octahedra, and edges with two equivalent NNd4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–67°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-570646
- 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; Nd4Te3N2; N-Nd-Te
- OSTI Identifier:
- 1275837
- DOI:
- https://doi.org/10.17188/1275837
Citation Formats
The Materials Project. Materials Data on Nd4Te3N2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275837.
The Materials Project. Materials Data on Nd4Te3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1275837
The Materials Project. 2020.
"Materials Data on Nd4Te3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1275837. https://www.osti.gov/servlets/purl/1275837. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275837,
title = {Materials Data on Nd4Te3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4N2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and five Te2- atoms. There are one shorter (2.31 Å) and one longer (2.35 Å) Nd–N bond lengths. There are a spread of Nd–Te bond distances ranging from 3.34–3.55 Å. In the second Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent Te2- atoms. Both Nd–N bond lengths are 2.34 Å. There are two shorter (3.26 Å) and two longer (3.30 Å) Nd–Te bond lengths. In the third Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Te2- atoms. Both Nd–N bond lengths are 2.32 Å. There are a spread of Nd–Te bond distances ranging from 3.11–3.54 Å. N3- is bonded to four Nd3+ atoms to form NNd4 tetrahedra that share corners with four equivalent TeNd6 octahedra, an edgeedge with one TeNd6 octahedra, and edges with two equivalent NNd4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–67°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the second Te2- site, Te2- is bonded to six Nd3+ atoms to form distorted TeNd6 octahedra that share corners with eight equivalent NNd4 tetrahedra, edges with two equivalent NNd4 tetrahedra, and faces with two equivalent TeNd6 octahedra.},
doi = {10.17188/1275837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}