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Materials Data on Rb2BeNi2F14 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1666575· OSTI ID:1666575
Rb2BeNi2F14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Rb–F bond distances ranging from 2.78–3.45 Å. Be is bonded in an octahedral geometry to six F atoms. There are a spread of Be–F bond distances ranging from 1.68–1.73 Å. Ni is bonded in a tetrahedral geometry to four F atoms. There is three shorter (1.79 Å) and one longer (1.83 Å) Ni–F bond length. There are seven inequivalent F sites. In the first F site, F is bonded in a 3-coordinate geometry to two equivalent Rb and one Ni atom. In the second F site, F is bonded in a distorted single-bond geometry to two equivalent Rb and one Ni atom. In the third F site, F is bonded in a single-bond geometry to one Rb and one Ni atom. In the fourth F site, F is bonded in a single-bond geometry to one Rb and one Be atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Rb and one Ni atom. In the sixth F site, F is bonded in a single-bond geometry to one Rb and one Be atom. In the seventh F site, F is bonded in a single-bond geometry to one Be atom.
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:
1666575
Report Number(s):
mp-1212801
Country of Publication:
United States
Language:
English

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