Materials Data on LiSm2OsO6 by Materials Project
Abstract
LiSm2OsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are two shorter (2.09 Å) and four longer (2.18 Å) Li–O bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Sm3+, and one Os5+ atom to form distorted corner-sharing OLiSm2Os trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Os5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-12448
- 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; LiSm2OsO6; Li-O-Os-Sm
- OSTI Identifier:
- 1188798
- DOI:
- https://doi.org/10.17188/1188798
Citation Formats
The Materials Project. Materials Data on LiSm2OsO6 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1188798.
The Materials Project. Materials Data on LiSm2OsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1188798
The Materials Project. 2017.
"Materials Data on LiSm2OsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1188798. https://www.osti.gov/servlets/purl/1188798. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1188798,
title = {Materials Data on LiSm2OsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSm2OsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are two shorter (2.09 Å) and four longer (2.18 Å) Li–O bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Sm3+, and one Os5+ atom to form distorted corner-sharing OLiSm2Os trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Os5+ atom.},
doi = {10.17188/1188798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 11 00:00:00 EDT 2017},
month = {Thu May 11 00:00:00 EDT 2017}
}