Materials Data on Pr2O3 by Materials Project
Pr2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are four shorter (2.40 Å) and two longer (2.49 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pr–O bond lengths are 2.43 Å. O2- is bonded to four Pr3+ atoms to form a mixture of distorted corner and edge-sharing OPr4 trigonal 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:
- 1192112
- Report Number(s):
- mp-16705
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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