U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2Ir2O7 by Materials Project
Abstract
Nd2Ir2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.55 Å) Nd–O bond lengths. Ir4+ is bonded to six equivalent O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ir–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ir4+ atoms to form a mixture of distorted edge and corner-sharing ONd2Ir2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1190299
- 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; crystal structure; Ir-Nd-O; Nd2Ir2O7
- OSTI Identifier:
- 1718385
- DOI:
- https://doi.org/10.17188/1718385
Citation Formats
Materials Data on Nd2Ir2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718385.
Materials Data on Nd2Ir2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1718385
2020.
"Materials Data on Nd2Ir2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1718385. https://www.osti.gov/servlets/purl/1718385. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1718385,
title = {Materials Data on Nd2Ir2O7 by Materials Project},
abstractNote = {Nd2Ir2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.55 Å) Nd–O bond lengths. Ir4+ is bonded to six equivalent O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ir–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ir4+ atoms to form a mixture of distorted edge and corner-sharing ONd2Ir2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.},
doi = {10.17188/1718385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}