Materials Data on TaRu3C by Materials Project
TaCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with twelve equivalent TaRu12 cuboctahedra, faces with six equivalent TaRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ta–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Ta and two equivalent C atoms. Both Ru–C bond lengths are 2.03 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent TaRu12 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:
- 1197342
- Report Number(s):
- mp-22087
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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