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Title: Materials Data on Hf(TeSe3)2 by Materials Project

Abstract

Hf(TeSe3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hf4+ is bonded in an octahedral geometry to six Se2- atoms. There are a spread of Hf–Se bond distances ranging from 2.65–2.70 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Te–Se bond distances ranging from 2.53–2.64 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to one Hf4+ and one Te4+ atom. In the second Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to one Hf4+ and one Te4+ atom. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to one Hf4+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-1097002
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; Hf(TeSe3)2; Hf-Se-Te
OSTI Identifier:
1652057
DOI:
https://doi.org/10.17188/1652057

Citation Formats

The Materials Project. Materials Data on Hf(TeSe3)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1652057.
The Materials Project. Materials Data on Hf(TeSe3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652057
The Materials Project. 2018. "Materials Data on Hf(TeSe3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652057. https://www.osti.gov/servlets/purl/1652057. Pub date:Sun May 13 00:00:00 EDT 2018
@article{osti_1652057,
title = {Materials Data on Hf(TeSe3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf(TeSe3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hf4+ is bonded in an octahedral geometry to six Se2- atoms. There are a spread of Hf–Se bond distances ranging from 2.65–2.70 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Te–Se bond distances ranging from 2.53–2.64 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to one Hf4+ and one Te4+ atom. In the second Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to one Hf4+ and one Te4+ atom. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to one Hf4+ and one Te4+ atom.},
doi = {10.17188/1652057},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}