skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ag2H2IOF by Materials Project

Abstract

Ag2H2OIF crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.43 Å. There are one shorter (2.81 Å) and one longer (2.90 Å) Ag–I bond lengths. The Ag–F bond length is 2.38 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.35 Å. There are one shorter (2.86 Å) and one longer (2.94 Å) Ag–I bond lengths. The Ag–F bond length is 2.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.58 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.57 Å. O2- is bonded in a distorted water-like geometrymore » to two Ag1+ and two H1+ atoms. I1- is bonded in a 4-coordinate geometry to four Ag1+ atoms. F1- is bonded in a distorted tetrahedral geometry to two Ag1+ and two H1+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-690687
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; Ag2H2IOF; Ag-F-H-I-O
OSTI Identifier:
1284560
DOI:
10.17188/1284560

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag2H2IOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284560.
Persson, Kristin, & Project, Materials. Materials Data on Ag2H2IOF by Materials Project. United States. doi:10.17188/1284560.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag2H2IOF by Materials Project". United States. doi:10.17188/1284560. https://www.osti.gov/servlets/purl/1284560. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1284560,
title = {Materials Data on Ag2H2IOF by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag2H2OIF crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.43 Å. There are one shorter (2.81 Å) and one longer (2.90 Å) Ag–I bond lengths. The Ag–F bond length is 2.38 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.35 Å. There are one shorter (2.86 Å) and one longer (2.94 Å) Ag–I bond lengths. The Ag–F bond length is 2.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.58 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.57 Å. O2- is bonded in a distorted water-like geometry to two Ag1+ and two H1+ atoms. I1- is bonded in a 4-coordinate geometry to four Ag1+ atoms. F1- is bonded in a distorted tetrahedral geometry to two Ag1+ and two H1+ atoms.},
doi = {10.17188/1284560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: