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Title: Materials Data on HfGeTe4 by Materials Project

Abstract

HfGeTe4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four HfGeTe4 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded to seven Te2- atoms to form distorted face-sharing HfTe7 pentagonal bipyramids. There are a spread of Hf–Te bond distances ranging from 2.96–3.06 Å. Ge4+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are two shorter (2.72 Å) and one longer (2.75 Å) Ge–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Ge4+ atom. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Ge4+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms.

Publication Date:
Other Number(s):
mp-567817
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; HfGeTe4; Ge-Hf-Te
OSTI Identifier:
1274062
DOI:
10.17188/1274062

Citation Formats

The Materials Project. Materials Data on HfGeTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274062.
The Materials Project. Materials Data on HfGeTe4 by Materials Project. United States. doi:10.17188/1274062.
The Materials Project. 2020. "Materials Data on HfGeTe4 by Materials Project". United States. doi:10.17188/1274062. https://www.osti.gov/servlets/purl/1274062. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1274062,
title = {Materials Data on HfGeTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {HfGeTe4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four HfGeTe4 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded to seven Te2- atoms to form distorted face-sharing HfTe7 pentagonal bipyramids. There are a spread of Hf–Te bond distances ranging from 2.96–3.06 Å. Ge4+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are two shorter (2.72 Å) and one longer (2.75 Å) Ge–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Ge4+ atom. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Ge4+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms.},
doi = {10.17188/1274062},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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