U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdAsO4 by Materials Project
Abstract
NdAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.63 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom.
- Publication Date:
- Other Number(s):
- mp-556843
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Nd-O; NdAsO4; crystal structure
- OSTI Identifier:
- 1269568
- DOI:
- https://doi.org/10.17188/1269568
Citation Formats
Materials Data on NdAsO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269568.
Materials Data on NdAsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1269568
2020.
"Materials Data on NdAsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1269568. https://www.osti.gov/servlets/purl/1269568. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1269568,
title = {Materials Data on NdAsO4 by Materials Project},
abstractNote = {NdAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.63 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom.},
doi = {10.17188/1269568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}