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Title: Materials Data on AsCClO2F3 by Materials Project

Abstract

CF3AsO2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two AsO2Cl clusters. In each AsO2Cl cluster, As5+ is bonded in a distorted see-saw-like geometry to three O2- and one Cl1- atom. There are a spread of As–O bond distances ranging from 1.73–1.90 Å. The As–Cl bond length is 2.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent As5+ atoms. Cl1- is bonded in a 1-coordinate geometry to one As5+ atom.

Publication Date:
Other Number(s):
mp-1198257
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; AsCClO2F3; As-C-Cl-F-O
OSTI Identifier:
1685916
DOI:
https://doi.org/10.17188/1685916

Citation Formats

The Materials Project. Materials Data on AsCClO2F3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685916.
The Materials Project. Materials Data on AsCClO2F3 by Materials Project. United States. doi:https://doi.org/10.17188/1685916
The Materials Project. 2020. "Materials Data on AsCClO2F3 by Materials Project". United States. doi:https://doi.org/10.17188/1685916. https://www.osti.gov/servlets/purl/1685916. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685916,
title = {Materials Data on AsCClO2F3 by Materials Project},
author = {The Materials Project},
abstractNote = {CF3AsO2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two AsO2Cl clusters. In each AsO2Cl cluster, As5+ is bonded in a distorted see-saw-like geometry to three O2- and one Cl1- atom. There are a spread of As–O bond distances ranging from 1.73–1.90 Å. The As–Cl bond length is 2.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent As5+ atoms. Cl1- is bonded in a 1-coordinate geometry to one As5+ atom.},
doi = {10.17188/1685916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}