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Title: Materials Data on RbH2O2F by Materials Project

Abstract

RbH2O2F crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (3.00 Å) and four longer (3.06 Å) Rb–O bond lengths. In the second Rb site, Rb is bonded to six F atoms to form distorted edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.88–3.00 Å. In the third Rb site, Rb is bonded in a 1-coordinate geometry to four O and four F atoms. There are two shorter (3.03 Å) and two longer (3.15 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.76–3.17 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to one O and one F atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.54 Å. In the second H site, H is bonded in a distorted linear geometry to one O and one F atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.53 Å. There are twomore » inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Rb and one H atom. In the second O site, O is bonded in a single-bond geometry to two Rb and one H atom. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to four Rb and two equivalent H atoms. In the second F site, F is bonded in a 2-coordinate geometry to three Rb and two equivalent H atoms.« less

Publication Date:
Other Number(s):
mp-766505
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbH2O2F; F-H-O-Rb
OSTI Identifier:
1296894
DOI:
10.17188/1296894

Citation Formats

The Materials Project. Materials Data on RbH2O2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1296894.
The Materials Project. Materials Data on RbH2O2F by Materials Project. United States. doi:10.17188/1296894.
The Materials Project. 2020. "Materials Data on RbH2O2F by Materials Project". United States. doi:10.17188/1296894. https://www.osti.gov/servlets/purl/1296894. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1296894,
title = {Materials Data on RbH2O2F by Materials Project},
author = {The Materials Project},
abstractNote = {RbH2O2F crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (3.00 Å) and four longer (3.06 Å) Rb–O bond lengths. In the second Rb site, Rb is bonded to six F atoms to form distorted edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.88–3.00 Å. In the third Rb site, Rb is bonded in a 1-coordinate geometry to four O and four F atoms. There are two shorter (3.03 Å) and two longer (3.15 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.76–3.17 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to one O and one F atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.54 Å. In the second H site, H is bonded in a distorted linear geometry to one O and one F atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.53 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Rb and one H atom. In the second O site, O is bonded in a single-bond geometry to two Rb and one H atom. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to four Rb and two equivalent H atoms. In the second F site, F is bonded in a 2-coordinate geometry to three Rb and two equivalent H atoms.},
doi = {10.17188/1296894},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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