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Title: Materials Data on TeAs(ClF2)3 by Materials Project

Abstract

AsTe(ClF2)3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two AsTe(ClF2)3 ribbons oriented in the (0, 0, 1) direction. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.82 Å. Te4+ is bonded in a 5-coordinate geometry to three Cl1- and two F1- atoms. There are a spread of Te–Cl bond distances ranging from 2.30–2.32 Å. There are one shorter (2.70 Å) and one longer (2.72 Å) Te–F bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one As5+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to onemore » As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one As5+ and one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-556325
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; TeAs(ClF2)3; As-Cl-F-Te
OSTI Identifier:
1269289
DOI:
10.17188/1269289

Citation Formats

The Materials Project. Materials Data on TeAs(ClF2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269289.
The Materials Project. Materials Data on TeAs(ClF2)3 by Materials Project. United States. doi:10.17188/1269289.
The Materials Project. 2020. "Materials Data on TeAs(ClF2)3 by Materials Project". United States. doi:10.17188/1269289. https://www.osti.gov/servlets/purl/1269289. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1269289,
title = {Materials Data on TeAs(ClF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {AsTe(ClF2)3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two AsTe(ClF2)3 ribbons oriented in the (0, 0, 1) direction. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.82 Å. Te4+ is bonded in a 5-coordinate geometry to three Cl1- and two F1- atoms. There are a spread of Te–Cl bond distances ranging from 2.30–2.32 Å. There are one shorter (2.70 Å) and one longer (2.72 Å) Te–F bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one As5+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one As5+ and one Te4+ atom.},
doi = {10.17188/1269289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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