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Title: Materials Data on Nd2SiTeO4 by Materials Project

Abstract

Nd2SiTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Nd–Te bond distances ranging from 3.20–3.42 Å. There are three shorter (2.52 Å) and one longer (2.56 Å) Nd–O bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to one Te2- and seven O2- atoms. The Nd–Te bond length is 3.33 Å. There are a spread of Nd–O bond distances ranging from 2.37–2.73 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te2- is bonded in a 5-coordinate geometry to five Nd3+ and five O2- atoms. There are a spread of Te–O bond distances ranging from 3.49–3.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Nd3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+, one Si4+, and one Te2-more » atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+, one Si4+, and one Te2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17959
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; Nd2SiTeO4; Nd-O-Si-Te
OSTI Identifier:
1192798
DOI:
https://doi.org/10.17188/1192798

Citation Formats

The Materials Project. Materials Data on Nd2SiTeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192798.
The Materials Project. Materials Data on Nd2SiTeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192798
The Materials Project. 2020. "Materials Data on Nd2SiTeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192798. https://www.osti.gov/servlets/purl/1192798. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1192798,
title = {Materials Data on Nd2SiTeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2SiTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Nd–Te bond distances ranging from 3.20–3.42 Å. There are three shorter (2.52 Å) and one longer (2.56 Å) Nd–O bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to one Te2- and seven O2- atoms. The Nd–Te bond length is 3.33 Å. There are a spread of Nd–O bond distances ranging from 2.37–2.73 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te2- is bonded in a 5-coordinate geometry to five Nd3+ and five O2- atoms. There are a spread of Te–O bond distances ranging from 3.49–3.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Nd3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+, one Si4+, and one Te2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+, one Si4+, and one Te2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one Si4+ atom.},
doi = {10.17188/1192798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}