Materials Data on Te16Rh9 by Materials Project
Abstract
Rh9Te16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Rh+3.56+ sites. In the first Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Rh–Te bond distances ranging from 2.66–2.69 Å. In the second Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and face-sharing RhTe6 octahedra. There are a spread of Rh–Te bond distances ranging from 2.67–2.74 Å. In the third Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of corner and face-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.74 Å) and four longer (2.75 Å) Rh–Te bond lengths. In the fourth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Rh–Te bond distances ranging from 2.63–2.71 Å. In the fifth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1101148
- 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; Te16Rh9; Rh-Te
- OSTI Identifier:
- 1685310
- DOI:
- https://doi.org/10.17188/1685310
Citation Formats
The Materials Project. Materials Data on Te16Rh9 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1685310.
The Materials Project. Materials Data on Te16Rh9 by Materials Project. United States. doi:https://doi.org/10.17188/1685310
The Materials Project. 2018.
"Materials Data on Te16Rh9 by Materials Project". United States. doi:https://doi.org/10.17188/1685310. https://www.osti.gov/servlets/purl/1685310. Pub date:Tue Jul 17 00:00:00 EDT 2018
@article{osti_1685310,
title = {Materials Data on Te16Rh9 by Materials Project},
author = {The Materials Project},
abstractNote = {Rh9Te16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Rh+3.56+ sites. In the first Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Rh–Te bond distances ranging from 2.66–2.69 Å. In the second Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and face-sharing RhTe6 octahedra. There are a spread of Rh–Te bond distances ranging from 2.67–2.74 Å. In the third Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of corner and face-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.74 Å) and four longer (2.75 Å) Rh–Te bond lengths. In the fourth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Rh–Te bond distances ranging from 2.63–2.71 Å. In the fifth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Rh–Te bond distances ranging from 2.64–2.71 Å. There are eight inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Rh+3.56+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the sixth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the seventh Te2- site, Te2- is bonded in a 4-coordinate geometry to four Rh+3.56+ atoms. In the eighth Te2- site, Te2- is bonded in a 4-coordinate geometry to four Rh+3.56+ atoms.},
doi = {10.17188/1685310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 17 00:00:00 EDT 2018},
month = {Tue Jul 17 00:00:00 EDT 2018}
}