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Title: Materials Data on KAs(OF2)2 by Materials Project

Abstract

KAs(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to two equivalent O and eight F atoms. Both K–O bond lengths are 2.89 Å. There are a spread of K–F bond distances ranging from 2.77–3.12 Å. As is bonded in an octahedral geometry to two equivalent O and four F atoms. Both As–O bond lengths are 1.82 Å. There is two shorter (1.79 Å) and two longer (1.80 Å) As–F bond length. O is bonded in a distorted single-bond geometry to one K and one As atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent K and one As atom. In the second F site, F is bonded in a distorted single-bond geometry to two equivalent K and one As atom.

Publication Date:
Other Number(s):
mp-1189288
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; KAs(OF2)2; As-F-K-O
OSTI Identifier:
1662443
DOI:
https://doi.org/10.17188/1662443

Citation Formats

The Materials Project. Materials Data on KAs(OF2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662443.
The Materials Project. Materials Data on KAs(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662443
The Materials Project. 2019. "Materials Data on KAs(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662443. https://www.osti.gov/servlets/purl/1662443. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1662443,
title = {Materials Data on KAs(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KAs(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to two equivalent O and eight F atoms. Both K–O bond lengths are 2.89 Å. There are a spread of K–F bond distances ranging from 2.77–3.12 Å. As is bonded in an octahedral geometry to two equivalent O and four F atoms. Both As–O bond lengths are 1.82 Å. There is two shorter (1.79 Å) and two longer (1.80 Å) As–F bond length. O is bonded in a distorted single-bond geometry to one K and one As atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent K and one As atom. In the second F site, F is bonded in a distorted single-bond geometry to two equivalent K and one As atom.},
doi = {10.17188/1662443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}