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Title: Materials Data on Hf(Te2Cl3)2 by Materials Project

Abstract

Hf(Te2Cl3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Hf(Te2Cl3)2 cluster. Hf4+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.43 Å) and four longer (2.49 Å) Hf–Cl bond lengths. There are two inequivalent Te+0.50+ sites. In the first Te+0.50+ site, Te+0.50+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.22 Å. In the second Te+0.50+ site, Te+0.50+ is bonded in a distorted single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.11 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hf4+ and one Te+0.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hf4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Hf4+ and one Te+0.50+ atom.

Publication Date:
Other Number(s):
mp-29419
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(Te2Cl3)2; Cl-Hf-Te
OSTI Identifier:
1203792
DOI:
https://doi.org/10.17188/1203792

Citation Formats

The Materials Project. Materials Data on Hf(Te2Cl3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203792.
The Materials Project. Materials Data on Hf(Te2Cl3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203792
The Materials Project. 2020. "Materials Data on Hf(Te2Cl3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203792. https://www.osti.gov/servlets/purl/1203792. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1203792,
title = {Materials Data on Hf(Te2Cl3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf(Te2Cl3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Hf(Te2Cl3)2 cluster. Hf4+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.43 Å) and four longer (2.49 Å) Hf–Cl bond lengths. There are two inequivalent Te+0.50+ sites. In the first Te+0.50+ site, Te+0.50+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.22 Å. In the second Te+0.50+ site, Te+0.50+ is bonded in a distorted single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.11 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hf4+ and one Te+0.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hf4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Hf4+ and one Te+0.50+ atom.},
doi = {10.17188/1203792},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}