U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf2Se3 by Materials Project
Abstract
Hf2Se3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Hf sites. In the first Hf site, Hf is bonded to six Se atoms to form a mixture of edge, face, and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.59–2.79 Å. In the second Hf site, Hf is bonded to six Se atoms to form a mixture of edge, face, and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.58–2.79 Å. In the third Hf site, Hf is bonded to six Se atoms to form a mixture of edge, face, and corner-sharing HfSe6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Hf–Se bond distances ranging from 2.62–2.76 Å. In the fourth Hf site, Hf is bonded to six Se atoms to form a mixture of edge and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.63–2.74 Å. In the fifth Hf site, Hf is bonded to six Se atomsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224485
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Hf2Se3; Hf-Se
- OSTI Identifier:
- 1698545
- DOI:
- https://doi.org/10.17188/1698545
Citation Formats
The Materials Project. Materials Data on Hf2Se3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698545.
The Materials Project. Materials Data on Hf2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1698545
The Materials Project. 2020.
"Materials Data on Hf2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1698545. https://www.osti.gov/servlets/purl/1698545. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1698545,
title = {Materials Data on Hf2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2Se3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Hf sites. In the first Hf site, Hf is bonded to six Se atoms to form a mixture of edge, face, and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.59–2.79 Å. In the second Hf site, Hf is bonded to six Se atoms to form a mixture of edge, face, and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.58–2.79 Å. In the third Hf site, Hf is bonded to six Se atoms to form a mixture of edge, face, and corner-sharing HfSe6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Hf–Se bond distances ranging from 2.62–2.76 Å. In the fourth Hf site, Hf is bonded to six Se atoms to form a mixture of edge and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.63–2.74 Å. In the fifth Hf site, Hf is bonded to six Se atoms to form a mixture of edge and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.62–2.74 Å. In the sixth Hf site, Hf is bonded to six Se atoms to form a mixture of edge and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.63–2.74 Å. In the seventh Hf site, Hf is bonded to six Se atoms to form a mixture of edge, face, and corner-sharing HfSe6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Hf–Se bond distances ranging from 2.62–2.75 Å. In the eighth Hf site, Hf is bonded to six Se atoms to form a mixture of edge and corner-sharing HfSe6 octahedra. The corner-sharing octahedra tilt angles range from 8–47°. There are a spread of Hf–Se bond distances ranging from 2.63–2.73 Å. There are twelve inequivalent Se sites. In the first Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the second Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the third Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the fourth Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the fifth Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the sixth Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the seventh Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the eighth Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the ninth Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the tenth Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the eleventh Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms. In the twelfth Se site, Se is bonded in a rectangular see-saw-like geometry to four Hf atoms.},
doi = {10.17188/1698545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}