U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaNd2OsO6 by Materials Project
Abstract
NaNd2OsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 36–42°. There are four shorter (2.31 Å) and two longer (2.35 Å) Na–O bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.96 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–42°. 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 4-coordinate geometry to one Na1+, three equivalent Nd3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Na1+, two equivalent Nd3+, and one Os5+ atom to form distorted corner-sharing ONaNd2Os trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Nd3+, and one Os5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-22329
- 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; NaNd2OsO6; Na-Nd-O-Os
- OSTI Identifier:
- 1197563
- DOI:
- https://doi.org/10.17188/1197563
Citation Formats
The Materials Project. Materials Data on NaNd2OsO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197563.
The Materials Project. Materials Data on NaNd2OsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1197563
The Materials Project. 2020.
"Materials Data on NaNd2OsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1197563. https://www.osti.gov/servlets/purl/1197563. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197563,
title = {Materials Data on NaNd2OsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNd2OsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 36–42°. There are four shorter (2.31 Å) and two longer (2.35 Å) Na–O bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.96 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–42°. 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 4-coordinate geometry to one Na1+, three equivalent Nd3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Na1+, two equivalent Nd3+, and one Os5+ atom to form distorted corner-sharing ONaNd2Os trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Nd3+, and one Os5+ atom.},
doi = {10.17188/1197563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}