U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdPO4 by Materials Project
Abstract
NdPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent O2- atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent NdO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.43 Å) and four longer (2.56 Å) Nd–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent NdO8 hexagonal bipyramids and edges with two equivalent NdO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-14190
- 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; Nd-O-P; NdPO4; crystal structure
- OSTI Identifier:
- 1190199
- DOI:
- https://doi.org/10.17188/1190199
Citation Formats
Materials Data on NdPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190199.
Materials Data on NdPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1190199
2020.
"Materials Data on NdPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1190199. https://www.osti.gov/servlets/purl/1190199. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1190199,
title = {Materials Data on NdPO4 by Materials Project},
abstractNote = {NdPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent O2- atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent NdO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.43 Å) and four longer (2.56 Å) Nd–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent NdO8 hexagonal bipyramids and edges with two equivalent NdO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one P5+ atom.},
doi = {10.17188/1190199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}