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Title: Materials Data on In2AsSe by Materials Project

Abstract

In2AsSe is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. In+2.50+ is bonded to two equivalent As3- and two equivalent Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. Both In–As bond lengths are 2.74 Å. Both In–Se bond lengths are 2.82 Å. As3- is bonded to four equivalent In+2.50+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn4 tetrahedra. Se2- is bonded to four equivalent In+2.50+ atoms to form SeIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1173039
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; In2AsSe; As-In-Se
OSTI Identifier:
1672300
DOI:
10.17188/1672300

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on In2AsSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672300.
Persson, Kristin, & Project, Materials. Materials Data on In2AsSe by Materials Project. United States. doi:10.17188/1672300.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on In2AsSe by Materials Project". United States. doi:10.17188/1672300. https://www.osti.gov/servlets/purl/1672300. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672300,
title = {Materials Data on In2AsSe by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {In2AsSe is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. In+2.50+ is bonded to two equivalent As3- and two equivalent Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. Both In–As bond lengths are 2.74 Å. Both In–Se bond lengths are 2.82 Å. As3- is bonded to four equivalent In+2.50+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn4 tetrahedra. Se2- is bonded to four equivalent In+2.50+ atoms to form SeIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra.},
doi = {10.17188/1672300},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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