Materials Data on Ca3SbN by Materials Project
SbNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent N3- atoms. All Ca–Sb bond lengths are 3.45 Å. Both Ca–N bond lengths are 2.44 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N3- is bonded to six equivalent Ca2+ atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent SbCa12 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:
- 1330027
- Report Number(s):
- mp-1013548
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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