Materials Data on Eu2H3Br by Materials Project
Eu2H3Br crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent Br1- atoms. There are a spread of Eu–H bond distances ranging from 2.37–2.71 Å. All Eu–Br bond lengths are 3.25 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Eu2+ atoms to form HEu4 trigonal pyramids that share corners with three equivalent HEu6 octahedra, corners with six equivalent BrEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with three equivalent BrEu6 octahedra, edges with three equivalent HEu4 trigonal pyramids, and faces with three equivalent HEu6 octahedra. The corner-sharing octahedra tilt angles range from 36–46°. In the second H1- site, H1- is bonded to six equivalent Eu2+ atoms to form HEu6 octahedra that share corners with twelve equivalent BrEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with six equivalent HEu6 octahedra, faces with two equivalent BrEu6 octahedra, and faces with six equivalent HEu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Br1- is bonded to six equivalent Eu2+ atoms to form distorted BrEu6 octahedra that share corners with twelve equivalent HEu6 octahedra, corners with twelve equivalent HEu4 trigonal pyramids, edges with six equivalent BrEu6 octahedra, edges with six equivalent HEu4 trigonal pyramids, and faces with two equivalent HEu6 octahedra. The corner-sharing octahedral tilt angles are 49°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1350342
- Report Number(s):
- mp-1018691
- Country of Publication:
- United States
- Language:
- English
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