U.S. Department of EnergyOffice of Scientific and Technical Information
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;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Ge-Hf-Te; HfGeTe4
- OSTI Identifier:
- 1274062
- DOI:
- https://doi.org/10.17188/1274062
Citation Formats
Materials Data on HfGeTe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274062.
Materials Data on HfGeTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1274062
2020.
"Materials Data on HfGeTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1274062. https://www.osti.gov/servlets/purl/1274062. Pub date:Fri Jul 17 20:00:00 EDT 2020
@article{osti_1274062,
title = {Materials Data on HfGeTe4 by 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}
}