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Title: Materials Data on RbMgH12(ClO2)3 by Materials Project

Abstract

RbCl3Mg(H2O)6 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of two magnesium;hexahydrate molecules and one RbCl3 framework. In the RbCl3 framework, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six Cl1- atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are a spread of Rb–Cl bond distances ranging from 3.29–3.44 Å. In the second Rb1+ site, Rb1+ is bonded to six Cl1- atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. There are a spread of Rb–Cl bond distances ranging from 3.28–3.47 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two Rb1+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two Rb1+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ atoms.more » In the sixth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-759878
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbMgH12(ClO2)3; Cl-H-Mg-O-Rb
OSTI Identifier:
1291523
DOI:
https://doi.org/10.17188/1291523

Citation Formats

The Materials Project. Materials Data on RbMgH12(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291523.
The Materials Project. Materials Data on RbMgH12(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1291523
The Materials Project. 2020. "Materials Data on RbMgH12(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1291523. https://www.osti.gov/servlets/purl/1291523. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1291523,
title = {Materials Data on RbMgH12(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCl3Mg(H2O)6 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of two magnesium;hexahydrate molecules and one RbCl3 framework. In the RbCl3 framework, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six Cl1- atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are a spread of Rb–Cl bond distances ranging from 3.29–3.44 Å. In the second Rb1+ site, Rb1+ is bonded to six Cl1- atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. There are a spread of Rb–Cl bond distances ranging from 3.28–3.47 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two Rb1+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two Rb1+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ atoms.},
doi = {10.17188/1291523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}