Materials Data on CsEu2I5 by Materials Project
CsEu2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 3.80–4.30 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Eu–I bond distances ranging from 3.36–3.65 Å. In the second Eu2+ site, Eu2+ is bonded to seven I1- atoms to form distorted edge-sharing EuI7 pentagonal bipyramids. There are a spread of Eu–I bond distances ranging from 3.29–3.52 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Eu2+ atoms. In the second I1- site, I1- is bonded to two equivalent Cs1+ and three Eu2+ atoms to form distorted ICs2Eu3 trigonal bipyramids that share corners with four equivalent ICs2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, and edges with two equivalent IEu4 trigonal pyramids. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Eu2+ atoms. In the fourth I1- site, I1- is bonded to four Eu2+ atoms to form distorted IEu4 trigonal pyramids that share corners with two equivalent ICs2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, edges with two equivalent ICs2Eu3 trigonal bipyramids, and an edgeedge with one IEu4 trigonal pyramid. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Eu2+ atoms.
- 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:
- 1204058
- Report Number(s):
- mp-29613
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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