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Title: Materials Data on AgBH2OF4 by Materials Project

Abstract

AgBH2OF4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ag1+ is bonded in a 7-coordinate geometry to two equivalent O2- and six F1- atoms. Both Ag–O bond lengths are 2.39 Å. There are a spread of Ag–F bond distances ranging from 2.72–3.08 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.40–1.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a water-like geometry to two equivalent Ag1+ and two H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent Ag1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Ag1+ and one B3+more » atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one B3+ atom.« less

Publication Date:
Other Number(s):
mp-24058
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; AgBH2OF4; Ag-B-F-H-O
OSTI Identifier:
1199885
DOI:
https://doi.org/10.17188/1199885

Citation Formats

The Materials Project. Materials Data on AgBH2OF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199885.
The Materials Project. Materials Data on AgBH2OF4 by Materials Project. United States. doi:https://doi.org/10.17188/1199885
The Materials Project. 2020. "Materials Data on AgBH2OF4 by Materials Project". United States. doi:https://doi.org/10.17188/1199885. https://www.osti.gov/servlets/purl/1199885. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199885,
title = {Materials Data on AgBH2OF4 by Materials Project},
author = {The Materials Project},
abstractNote = {AgBH2OF4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ag1+ is bonded in a 7-coordinate geometry to two equivalent O2- and six F1- atoms. Both Ag–O bond lengths are 2.39 Å. There are a spread of Ag–F bond distances ranging from 2.72–3.08 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.40–1.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a water-like geometry to two equivalent Ag1+ and two H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent Ag1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Ag1+ and one B3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one B3+ atom.},
doi = {10.17188/1199885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}