Materials Data on LiEu4C3(IN2)3 by Materials Project
LiI3Eu4(CN2)3 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional and consists of one LiI3 ribbon oriented in the (0, 0, 1) direction and one Eu4(CN2)3 framework. In the LiI3 ribbon, Li1+ is bonded to six equivalent I1- atoms to form face-sharing LiI6 octahedra. All Li–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ atoms. In the Eu4(CN2)3 framework, there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Eu–N bond lengths are 2.65 Å. In the second Eu2+ site, Eu2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Eu–N bond lengths are 2.59 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 4-coordinate geometry to three Eu2+ and one C4+ 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:
- 1279777
- Report Number(s):
- mp-638276
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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