Materials Data on Pr2ScSi2 by Materials Project
Pr2ScSi2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (3.11 Å) and four longer (3.17 Å) Pr–Si bond lengths. Sc2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Sc–Si bond lengths are 2.97 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+, two equivalent Sc2+, and one Si4- atom. The Si–Si bond length is 2.47 Å.
- 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:
- 1739423
- Report Number(s):
- mp-1205499
- Country of Publication:
- United States
- Language:
- English
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