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Title: Materials Data on Li2RhO3 by Materials Project

Abstract

Li2RhO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RhO6 octahedra, edges with four equivalent RhO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are two shorter (2.08 Å) and four longer (2.19 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RhO6 octahedra, edges with four equivalent RhO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Li–O bond distances ranging from 2.12–2.17 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are two shorter (2.12 Å) and four longer (2.13more » Å) Li–O bond lengths. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent RhO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are four shorter (2.03 Å) and two longer (2.04 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two equivalent Rh4+ atoms to form a mixture of corner and edge-sharing OLi4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded to four Li1+ and two equivalent Rh4+ atoms to form a mixture of corner and edge-sharing OLi4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.« less

Authors:
Publication Date:
Other Number(s):
mp-754870
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; Li2RhO3; Li-O-Rh
OSTI Identifier:
1289611
DOI:
https://doi.org/10.17188/1289611

Citation Formats

The Materials Project. Materials Data on Li2RhO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289611.
The Materials Project. Materials Data on Li2RhO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289611
The Materials Project. 2020. "Materials Data on Li2RhO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289611. https://www.osti.gov/servlets/purl/1289611. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289611,
title = {Materials Data on Li2RhO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2RhO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RhO6 octahedra, edges with four equivalent RhO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are two shorter (2.08 Å) and four longer (2.19 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RhO6 octahedra, edges with four equivalent RhO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Li–O bond distances ranging from 2.12–2.17 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are two shorter (2.12 Å) and four longer (2.13 Å) Li–O bond lengths. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent RhO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are four shorter (2.03 Å) and two longer (2.04 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two equivalent Rh4+ atoms to form a mixture of corner and edge-sharing OLi4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded to four Li1+ and two equivalent Rh4+ atoms to form a mixture of corner and edge-sharing OLi4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.},
doi = {10.17188/1289611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}