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Title: Materials Data on AsH5C2(OF3)2 by Materials Project

Abstract

C2H5O2AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methoxymethanol molecules and four AsF6 clusters. In each AsF6 cluster, As3- is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 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- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3- atom.

Authors:
Publication Date:
Other Number(s):
mp-1197342
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; AsH5C2(OF3)2; As-C-F-H-O
OSTI Identifier:
1758064
DOI:
https://doi.org/10.17188/1758064

Citation Formats

The Materials Project. Materials Data on AsH5C2(OF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758064.
The Materials Project. Materials Data on AsH5C2(OF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758064
The Materials Project. 2020. "Materials Data on AsH5C2(OF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758064. https://www.osti.gov/servlets/purl/1758064. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758064,
title = {Materials Data on AsH5C2(OF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {C2H5O2AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methoxymethanol molecules and four AsF6 clusters. In each AsF6 cluster, As3- is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 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- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3- atom.},
doi = {10.17188/1758064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}