U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfTeSe4 by Materials Project
Abstract
HfTeSe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one HfTeSe4 sheet oriented in the (1, 0, 0) direction. Hf4+ is bonded to six Se2- atoms to form HfSe6 octahedra that share edges with two equivalent HfSe6 octahedra and edges with four equivalent TeSe6 octahedra. There are two shorter (2.69 Å) and four longer (2.71 Å) Hf–Se bond lengths. Te4+ is bonded to six Se2- atoms to form TeSe6 octahedra that share edges with two equivalent TeSe6 octahedra and edges with four equivalent HfSe6 octahedra. All Te–Se bond lengths are 2.81 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Te4+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Te4+ atoms.
- Publication Date:
- Other Number(s):
- mp-989651
- 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; Hf-Se-Te; HfTeSe4; crystal structure
- OSTI Identifier:
- 1316943
- DOI:
- https://doi.org/10.17188/1316943
Citation Formats
Materials Data on HfTeSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316943.
Materials Data on HfTeSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1316943
2020.
"Materials Data on HfTeSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1316943. https://www.osti.gov/servlets/purl/1316943. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1316943,
title = {Materials Data on HfTeSe4 by Materials Project},
abstractNote = {HfTeSe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one HfTeSe4 sheet oriented in the (1, 0, 0) direction. Hf4+ is bonded to six Se2- atoms to form HfSe6 octahedra that share edges with two equivalent HfSe6 octahedra and edges with four equivalent TeSe6 octahedra. There are two shorter (2.69 Å) and four longer (2.71 Å) Hf–Se bond lengths. Te4+ is bonded to six Se2- atoms to form TeSe6 octahedra that share edges with two equivalent TeSe6 octahedra and edges with four equivalent HfSe6 octahedra. All Te–Se bond lengths are 2.81 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Te4+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Te4+ atoms.},
doi = {10.17188/1316943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}