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Title: Materials Data on AgTe3I by Materials Project

Abstract

AgTe3I crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Te and two equivalent I1- atoms to form AgTe2I2 tetrahedra that share corners with two equivalent TeAgTe2I2 square pyramids, corners with two equivalent AgTe2I2 tetrahedra, and edges with four equivalent TeAgTe2I2 square pyramids. Both Ag–Te bond lengths are 2.81 Å. Both Ag–I bond lengths are 2.94 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a square co-planar geometry to two equivalent Te and two equivalent I1- atoms. Both Te–Te bond lengths are 2.77 Å. Both Te–I bond lengths are 3.99 Å. In the second Te site, Te is bonded to one Ag1+, two Te, and two equivalent I1- atoms to form distorted TeAgTe2I2 square pyramids that share corners with five equivalent TeAgTe2I2 square pyramids, a cornercorner with one AgTe2I2 tetrahedra, edges with two equivalent AgTe2I2 tetrahedra, and a faceface with one TeAgTe2I2 square pyramid. The Te–Te bond length is 2.83 Å. There are one shorter (3.78 Å) and one longer (3.93 Å) Te–I bond lengths. I1- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and six Te atoms.

Publication Date:
Other Number(s):
mp-570431
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; AgTe3I; Ag-I-Te
OSTI Identifier:
1275700
DOI:
https://doi.org/10.17188/1275700

Citation Formats

The Materials Project. Materials Data on AgTe3I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275700.
The Materials Project. Materials Data on AgTe3I by Materials Project. United States. doi:https://doi.org/10.17188/1275700
The Materials Project. 2020. "Materials Data on AgTe3I by Materials Project". United States. doi:https://doi.org/10.17188/1275700. https://www.osti.gov/servlets/purl/1275700. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275700,
title = {Materials Data on AgTe3I by Materials Project},
author = {The Materials Project},
abstractNote = {AgTe3I crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Te and two equivalent I1- atoms to form AgTe2I2 tetrahedra that share corners with two equivalent TeAgTe2I2 square pyramids, corners with two equivalent AgTe2I2 tetrahedra, and edges with four equivalent TeAgTe2I2 square pyramids. Both Ag–Te bond lengths are 2.81 Å. Both Ag–I bond lengths are 2.94 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a square co-planar geometry to two equivalent Te and two equivalent I1- atoms. Both Te–Te bond lengths are 2.77 Å. Both Te–I bond lengths are 3.99 Å. In the second Te site, Te is bonded to one Ag1+, two Te, and two equivalent I1- atoms to form distorted TeAgTe2I2 square pyramids that share corners with five equivalent TeAgTe2I2 square pyramids, a cornercorner with one AgTe2I2 tetrahedra, edges with two equivalent AgTe2I2 tetrahedra, and a faceface with one TeAgTe2I2 square pyramid. The Te–Te bond length is 2.83 Å. There are one shorter (3.78 Å) and one longer (3.93 Å) Te–I bond lengths. I1- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and six Te atoms.},
doi = {10.17188/1275700},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}