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Title: Materials Data on AgBiI4 by Materials Project

Abstract

AgBiI4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ag1+ is bonded to six I1- atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four equivalent BiI6 octahedra. There are four shorter (3.03 Å) and two longer (3.28 Å) Ag–I bond lengths. Bi3+ is bonded to six I1- atoms to form BiI6 octahedra that share edges with two equivalent BiI6 octahedra and edges with four equivalent AgI6 octahedra. There are two shorter (3.10 Å) and four longer (3.14 Å) Bi–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one Bi3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to one Ag1+ and two equivalent Bi3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35909
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; AgBiI4; Ag-Bi-I
OSTI Identifier:
1207098
DOI:
10.17188/1207098

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgBiI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207098.
Persson, Kristin, & Project, Materials. Materials Data on AgBiI4 by Materials Project. United States. doi:10.17188/1207098.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgBiI4 by Materials Project". United States. doi:10.17188/1207098. https://www.osti.gov/servlets/purl/1207098. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207098,
title = {Materials Data on AgBiI4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgBiI4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ag1+ is bonded to six I1- atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four equivalent BiI6 octahedra. There are four shorter (3.03 Å) and two longer (3.28 Å) Ag–I bond lengths. Bi3+ is bonded to six I1- atoms to form BiI6 octahedra that share edges with two equivalent BiI6 octahedra and edges with four equivalent AgI6 octahedra. There are two shorter (3.10 Å) and four longer (3.14 Å) Bi–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one Bi3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to one Ag1+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1207098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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