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Title: Materials Data on As(IF2)3 by Materials Project

Abstract

As(IF3)2I crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two As(IF3)2 clusters. In each As(IF3)2 cluster, As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.81 Å. There are two inequivalent I1+ sites. In the first I1+ site, I1+ is bonded in a single-bond geometry to one F1- atom. The I–F bond length is 2.66 Å. In the second I1+ site, I1+ is bonded in a single-bond geometry to one F1- atom. The I–F bond length is 2.80 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ and one I1+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one As3+ and one I1+ atom. In the sixth F1- site,more » F1- is bonded in a single-bond geometry to one As3+ atom.« less

Publication Date:
Other Number(s):
mp-27445
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; As(IF2)3; As-F-I
OSTI Identifier:
1201657
DOI:
https://doi.org/10.17188/1201657

Citation Formats

The Materials Project. Materials Data on As(IF2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201657.
The Materials Project. Materials Data on As(IF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1201657
The Materials Project. 2020. "Materials Data on As(IF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1201657. https://www.osti.gov/servlets/purl/1201657. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1201657,
title = {Materials Data on As(IF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {As(IF3)2I crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two As(IF3)2 clusters. In each As(IF3)2 cluster, As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.81 Å. There are two inequivalent I1+ sites. In the first I1+ site, I1+ is bonded in a single-bond geometry to one F1- atom. The I–F bond length is 2.66 Å. In the second I1+ site, I1+ is bonded in a single-bond geometry to one F1- atom. The I–F bond length is 2.80 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ and one I1+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one As3+ and one I1+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.},
doi = {10.17188/1201657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}