Materials Data on NaEu2Cl6 by Materials Project
NaEu2Cl6 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.90 Å) and three longer (2.91 Å) Na–Cl bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.92 Å) and three longer (2.93 Å) Na–Cl bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to nine Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.75–3.44 Å. There are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.99–3.07 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.97–3.03 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the second Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the third Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Eu+2.50+ atoms. In the fifth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the sixth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 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:
- 1283201
- Report Number(s):
- mp-676909
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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