Materials Data on Pr2CBr by Materials Project
Pr2CBr is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to three equivalent C and three equivalent Br atoms to form a mixture of distorted face, edge, and corner-sharing PrC3Br3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. All Pr–C bond lengths are 2.62 Å. All Pr–Br bond lengths are 3.25 Å. C is bonded to six equivalent Pr atoms to form edge-sharing CPr6 octahedra. Br is bonded in a 6-coordinate geometry to six equivalent Pr atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1274232
- Report Number(s):
- mp-568066
- Country of Publication:
- United States
- Language:
- English
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