Materials Data on KEu2Cl5 by Materials Project
KEu2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.10–3.57 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.97–3.12 Å. In the second Eu2+ site, Eu2+ is bonded to seven Cl1- atoms to form distorted edge-sharing EuCl7 pentagonal bipyramids. There are a spread of Eu–Cl bond distances ranging from 2.86–3.03 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent K1+ and two equivalent Eu2+ atoms to form distorted ClK2Eu2 trigonal pyramids that share corners with six ClK2Eu3 square pyramids, corners with four equivalent ClEu4 tetrahedra, corners with two equivalent ClK2Eu2 trigonal pyramids, edges with three ClK2Eu3 square pyramids, and an edgeedge with one ClK2Eu2 trigonal pyramid. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Eu2+ atoms. In the third Cl1- site, Cl1- is bonded to two equivalent K1+ and three Eu2+ atoms to form distorted ClK2Eu3 square pyramids that share corners with eight ClK2Eu3 square pyramids, corners with two equivalent ClEu4 tetrahedra, corners with two equivalent ClK2Eu2 trigonal pyramids, an edgeedge with one ClK2Eu3 square pyramid, edges with two equivalent ClEu4 tetrahedra, edges with two equivalent ClK2Eu2 trigonal pyramids, and a faceface with one ClK2Eu3 square pyramid. In the fourth Cl1- site, Cl1- is bonded to two equivalent K1+ and three Eu2+ atoms to form distorted ClK2Eu3 square pyramids that share corners with four equivalent ClK2Eu3 square pyramids, corners with four equivalent ClEu4 tetrahedra, corners with four equivalent ClK2Eu2 trigonal pyramids, edges with three ClK2Eu3 square pyramids, an edgeedge with one ClEu4 tetrahedra, an edgeedge with one ClK2Eu2 trigonal pyramid, and a faceface with one ClK2Eu3 square pyramid. In the fifth Cl1- site, Cl1- is bonded to four Eu2+ atoms to form distorted ClEu4 tetrahedra that share corners with six ClK2Eu3 square pyramids, corners with two equivalent ClEu4 tetrahedra, corners with four equivalent ClK2Eu2 trigonal pyramids, edges with three ClK2Eu3 square pyramids, and an edgeedge with one ClEu4 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:
- 1733931
- Report Number(s):
- mp-1211620
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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