Materials Data on RbBe3ZnF9 by Materials Project
RbBe3ZnF9 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Rb–F bond lengths are 2.88 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share corners with two equivalent ZnF6 octahedra and corners with two equivalent BeF4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent BeF4 tetrahedra. All Zn–F bond lengths are 2.06 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Be2+, and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Be2+ atoms.
- 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:
- 1192400
- Report Number(s):
- mp-17229
- Country of Publication:
- United States
- Language:
- English
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