Materials Data on MgPa3 by Materials Project
MgPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pa atoms to form MgPa12 cuboctahedra that share corners with four equivalent MgPa12 cuboctahedra, corners with eight equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen equivalent PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Mg–Pa bond lengths are 3.24 Å. There are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Mg and eight equivalent Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with four equivalent PaMg4Pa8 cuboctahedra, corners with eight equivalent MgPa12 cuboctahedra, edges with twenty-four PaMg4Pa8 cuboctahedra, faces with six equivalent MgPa12 cuboctahedra, and faces with twelve PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å. In the second Pa site, Pa is bonded to four equivalent Mg and eight Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with twelve equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 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:
- 1315322
- Report Number(s):
- mp-976742
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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