Materials Data on Pr by Materials Project
Pr is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Pr sites. In the first Pr site, Pr is bonded to twelve Pr atoms to form PrPr12 cuboctahedra that share corners with eighteen PrPr16 cuboctahedra, edges with eighteen PrPr12 cuboctahedra, and faces with twenty PrPr12 cuboctahedra. There are six shorter (3.70 Å) and six longer (3.74 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to twelve Pr atoms to form a mixture of face, edge, and corner-sharing PrPr12 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.74 Å. In the third Pr site, Pr is bonded to twelve Pr atoms to form a mixture of face, edge, and corner-sharing PrPr12 cuboctahedra. All Pr–Pr bond lengths are 3.74 Å. In the fourth Pr site, Pr is bonded to twelve Pr atoms to form PrPr12 cuboctahedra that share corners with fifteen PrPr16 cuboctahedra, edges with twenty-one PrPr16 cuboctahedra, and faces with nineteen PrPr12 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.74 Å. In the fifth Pr site, Pr is bonded to twelve Pr atoms to form a mixture of face, edge, and corner-sharing PrPr12 cuboctahedra. There are three shorter (3.70 Å) and six longer (3.74 Å) Pr–Pr bond lengths. In the sixth Pr site, Pr is bonded to twelve Pr atoms to form PrPr12 cuboctahedra that share corners with twenty PrPr16 cuboctahedra, edges with nineteen PrPr12 cuboctahedra, and faces with twenty-two PrPr12 cuboctahedra. There are three shorter (3.73 Å) and six longer (3.74 Å) Pr–Pr bond lengths. In the seventh Pr site, Pr is bonded to sixteen Pr atoms to form PrPr16 cuboctahedra that share corners with twenty-five PrPr12 cuboctahedra, edges with twenty-one PrPr16 cuboctahedra, and faces with thirty-five PrPr16 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.74–7.49 Å.
- 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:
- 1316358
- Report Number(s):
- mp-981544
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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