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Title: Materials Data on AsKrF7 by Materials Project

Abstract

KrAsF7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four KrAsF7 clusters. Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.08 Å) Kr–F bond length. As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–2.01 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a bent 120 degrees geometry to one Kr and one As atom. In the fifth F site, F is bonded in a single-bond geometry to one Kr atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In the seventh F site, F is bonded in a single-bond geometry to one As atom.

Authors:
Publication Date:
Other Number(s):
mp-30010
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; AsKrF7; As-F-Kr
OSTI Identifier:
1204446
DOI:
https://doi.org/10.17188/1204446

Citation Formats

The Materials Project. Materials Data on AsKrF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204446.
The Materials Project. Materials Data on AsKrF7 by Materials Project. United States. doi:https://doi.org/10.17188/1204446
The Materials Project. 2020. "Materials Data on AsKrF7 by Materials Project". United States. doi:https://doi.org/10.17188/1204446. https://www.osti.gov/servlets/purl/1204446. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1204446,
title = {Materials Data on AsKrF7 by Materials Project},
author = {The Materials Project},
abstractNote = {KrAsF7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four KrAsF7 clusters. Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.08 Å) Kr–F bond length. As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–2.01 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a bent 120 degrees geometry to one Kr and one As atom. In the fifth F site, F is bonded in a single-bond geometry to one Kr atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In the seventh F site, F is bonded in a single-bond geometry to one As atom.},
doi = {10.17188/1204446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}