Materials Data on Sc3InB by Materials Project
Sc3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent In and two equivalent B atoms. All Sc–In bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.34 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1194934
- Report Number(s):
- mp-19726
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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