Materials Data on BaCa4(CoN2)2 by Materials Project
BaCa4(CoN2)2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Ba2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ba–N bond lengths are 2.93 Å. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of corner and edge-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.43–2.55 Å. Co1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.79 Å. N3- is bonded in a 6-coordinate geometry to one Ba2+, four equivalent Ca2+, and one Co1+ atom.
- 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:
- 1277501
- Report Number(s):
- mp-606338
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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