Materials Data on Pa3Al by Materials Project
Pa3Al is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to eight Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with twelve equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra. All Pa–Pa bond lengths are 3.19 Å. All Pa–Al bond lengths are 3.19 Å. In the second Pa site, Pa is bonded to eight equivalent Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with four equivalent PaPa8Al4 cuboctahedra, corners with eight equivalent AlPa12 cuboctahedra, edges with twenty-four PaPa8Al4 cuboctahedra, faces with six equivalent AlPa12 cuboctahedra, and faces with twelve PaPa8Al4 cuboctahedra. All Pa–Al bond lengths are 3.19 Å. Al is bonded to twelve Pa atoms to form AlPa12 cuboctahedra that share corners with four equivalent AlPa12 cuboctahedra, corners with eight equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen equivalent PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra.
- 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:
- 1309664
- Report Number(s):
- mp-862848
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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