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Materials Data on Rb2Be2Zn(O3F4)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1698654· OSTI ID:1698654
Rb2Be2Zn(O3F4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to two O and seven F atoms. There are one shorter (3.00 Å) and one longer (3.11 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.80–3.26 Å. Be is bonded in a tetrahedral geometry to four F atoms. There are a spread of Be–F bond distances ranging from 1.52–1.62 Å. Zn is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb and one Zn atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one Zn atom. In the third O site, O is bonded in a single-bond geometry to one Zn atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent Rb and one Be atom. In the second F site, F is bonded in a distorted single-bond geometry to one Rb and one Be atom. In the third F site, F is bonded in a distorted single-bond geometry to three equivalent Rb and one Be atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one Rb and 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:
1698654
Report Number(s):
mp-1209805
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Be-F-O-Rb-Zn
Rb2Be2Zn(O3F4)2
crystal structure