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Title: Materials Data on Yb(InSe2)2 by Materials Project

Abstract

Yb(InSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.14 Å) and four longer (3.25 Å) Yb–Se bond lengths. In3+ is bonded to four Se2- atoms to form edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.61–2.68 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Yb2+ and two equivalent In3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Yb2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SeYb2In2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1104919
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Yb(InSe2)2; In-Se-Yb
OSTI Identifier:
1705866
DOI:
https://doi.org/10.17188/1705866

Citation Formats

The Materials Project. Materials Data on Yb(InSe2)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1705866.
The Materials Project. Materials Data on Yb(InSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1705866
The Materials Project. 2018. "Materials Data on Yb(InSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1705866. https://www.osti.gov/servlets/purl/1705866. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1705866,
title = {Materials Data on Yb(InSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(InSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.14 Å) and four longer (3.25 Å) Yb–Se bond lengths. In3+ is bonded to four Se2- atoms to form edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.61–2.68 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Yb2+ and two equivalent In3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Yb2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SeYb2In2 trigonal pyramids.},
doi = {10.17188/1705866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}