Materials Data on Ca(TiN)2 by Materials Project
Ca(TiN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(TiN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Ca–N bond lengths are 2.32 Å. Ti2+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both Ti–N bond lengths are 1.91 Å. N3- is bonded to two equivalent Ca2+ and two equivalent Ti2+ atoms to form corner-sharing NCa2Ti2 tetrahedra.
- 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:
- 1318877
- Report Number(s):
- mvc-13408
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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