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Title: Materials Data on Rb2ZnO2 by Materials Project

Abstract

Rb2ZnO2 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 2.80–2.95 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 ZnO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.80–2.97 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 2.76–2.97 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 2.92–3.38 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one RbO4 trigonal pyramid, an edgeedge with one ZnO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. Theremore » are a spread of Zn–O bond distances ranging from 2.02–2.06 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.87–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five Rb1+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Zn2+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two Zn2+ atoms.« less

Publication Date:
Other Number(s):
mp-555977
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; Rb2ZnO2; O-Rb-Zn
OSTI Identifier:
1269093
DOI:
10.17188/1269093

Citation Formats

The Materials Project. Materials Data on Rb2ZnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269093.
The Materials Project. Materials Data on Rb2ZnO2 by Materials Project. United States. doi:10.17188/1269093.
The Materials Project. 2020. "Materials Data on Rb2ZnO2 by Materials Project". United States. doi:10.17188/1269093. https://www.osti.gov/servlets/purl/1269093. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1269093,
title = {Materials Data on Rb2ZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZnO2 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 2.80–2.95 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 ZnO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.80–2.97 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 2.76–2.97 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 2.92–3.38 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one RbO4 trigonal pyramid, an edgeedge with one ZnO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Zn–O bond distances ranging from 2.02–2.06 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.87–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five Rb1+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Zn2+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two Zn2+ atoms.},
doi = {10.17188/1269093},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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