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Title: Materials Data on Nb2Te4Cl10O by Materials Project

Abstract

Nb2Te2OCl10(Te)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two tellurium molecules and one Nb2Te2OCl10 ribbon oriented in the (1, 0, 1) direction. In the Nb2Te2OCl10 ribbon, Nb4+ is bonded to one O2- and five Cl1- atoms to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 0°. The Nb–O bond length is 1.91 Å. There are a spread of Nb–Cl bond distances ranging from 2.35–2.51 Å. Te1+ is bonded in a distorted single-bond geometry to two Cl1- atoms. There are one shorter (3.14 Å) and one longer (3.32 Å) Te–Cl bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Nb4+ and one Te1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb4+ and one Te1+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bondmore » geometry to one Nb4+ atom.« less

Publication Date:
Other Number(s):
mp-555641
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; Nb2Te4Cl10O; Cl-Nb-O-Te
OSTI Identifier:
1268918
DOI:
10.17188/1268918

Citation Formats

The Materials Project. Materials Data on Nb2Te4Cl10O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268918.
The Materials Project. Materials Data on Nb2Te4Cl10O by Materials Project. United States. doi:10.17188/1268918.
The Materials Project. 2020. "Materials Data on Nb2Te4Cl10O by Materials Project". United States. doi:10.17188/1268918. https://www.osti.gov/servlets/purl/1268918. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1268918,
title = {Materials Data on Nb2Te4Cl10O by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2Te2OCl10(Te)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two tellurium molecules and one Nb2Te2OCl10 ribbon oriented in the (1, 0, 1) direction. In the Nb2Te2OCl10 ribbon, Nb4+ is bonded to one O2- and five Cl1- atoms to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 0°. The Nb–O bond length is 1.91 Å. There are a spread of Nb–Cl bond distances ranging from 2.35–2.51 Å. Te1+ is bonded in a distorted single-bond geometry to two Cl1- atoms. There are one shorter (3.14 Å) and one longer (3.32 Å) Te–Cl bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Nb4+ and one Te1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb4+ and one Te1+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb4+ atom.},
doi = {10.17188/1268918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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