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Title: Materials Data on Rb2MgO2 by Materials Project

Abstract

Rb2MgO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.05 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share a cornercorner with one MgO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, and an edgeedge with one MgO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.80–3.02 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–2.97 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.41 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Mg–O bond distances ranging from 1.90–1.95 Å. In the second Mg2+ site, Mg2+ is bonded to fourmore » O2- atoms to form distorted MgO4 tetrahedra that share a cornercorner with one RbO4 trigonal pyramid, an edgeedge with one MgO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Mg–O bond distances ranging from 2.01–2.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Mg2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to five Rb1+ and two equivalent Mg2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mg2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mg2+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-778256
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; Rb2MgO2; Mg-O-Rb
OSTI Identifier:
1305487
DOI:
10.17188/1305487

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2MgO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305487.
Persson, Kristin, & Project, Materials. Materials Data on Rb2MgO2 by Materials Project. United States. doi:10.17188/1305487.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2MgO2 by Materials Project". United States. doi:10.17188/1305487. https://www.osti.gov/servlets/purl/1305487. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1305487,
title = {Materials Data on Rb2MgO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2MgO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.05 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share a cornercorner with one MgO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, and an edgeedge with one MgO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.80–3.02 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–2.97 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.41 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Mg–O bond distances ranging from 1.90–1.95 Å. In the second Mg2+ site, Mg2+ is bonded to four O2- atoms to form distorted MgO4 tetrahedra that share a cornercorner with one RbO4 trigonal pyramid, an edgeedge with one MgO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Mg–O bond distances ranging from 2.01–2.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Mg2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to five Rb1+ and two equivalent Mg2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mg2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mg2+ atoms.},
doi = {10.17188/1305487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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