Materials Data on NaPrO2 by Materials Project
NaPrO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.43 Å. Pr3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are four shorter (2.43 Å) and two longer (2.45 Å) Pr–O bond lengths. O2- is bonded to two equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing ONa2Pr3 square pyramids.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1308123
- Report Number(s):
- mp-8470
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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