U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdAlO3 by Materials Project
Abstract
NdAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Nd–O bond lengths are 2.67 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-14254
- 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; Al-Nd-O; NdAlO3; crystal structure
- OSTI Identifier:
- 1190582
- DOI:
- https://doi.org/10.17188/1190582
Citation Formats
Materials Data on NdAlO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190582.
Materials Data on NdAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1190582
2020.
"Materials Data on NdAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1190582. https://www.osti.gov/servlets/purl/1190582. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1190582,
title = {Materials Data on NdAlO3 by Materials Project},
abstractNote = {NdAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Nd–O bond lengths are 2.67 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1190582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}