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Title: Materials Data on RbCaH3 by Materials Project

Abstract

RbCaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent H1- atoms to form RbH12 cuboctahedra that share corners with twelve equivalent RbH12 cuboctahedra, faces with six equivalent RbH12 cuboctahedra, and faces with eight equivalent CaH6 octahedra. All Rb–H bond lengths are 3.21 Å. Ca2+ is bonded to six equivalent H1- atoms to form CaH6 octahedra that share corners with six equivalent CaH6 octahedra and faces with eight equivalent RbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–H bond lengths are 2.27 Å. H1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Ca2+ atoms.

Publication Date:
Other Number(s):
mp-23949
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; RbCaH3; Ca-H-Rb
OSTI Identifier:
1199823
DOI:
https://doi.org/10.17188/1199823

Citation Formats

The Materials Project. Materials Data on RbCaH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199823.
The Materials Project. Materials Data on RbCaH3 by Materials Project. United States. doi:https://doi.org/10.17188/1199823
The Materials Project. 2020. "Materials Data on RbCaH3 by Materials Project". United States. doi:https://doi.org/10.17188/1199823. https://www.osti.gov/servlets/purl/1199823. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199823,
title = {Materials Data on RbCaH3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent H1- atoms to form RbH12 cuboctahedra that share corners with twelve equivalent RbH12 cuboctahedra, faces with six equivalent RbH12 cuboctahedra, and faces with eight equivalent CaH6 octahedra. All Rb–H bond lengths are 3.21 Å. Ca2+ is bonded to six equivalent H1- atoms to form CaH6 octahedra that share corners with six equivalent CaH6 octahedra and faces with eight equivalent RbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–H bond lengths are 2.27 Å. H1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Ca2+ atoms.},
doi = {10.17188/1199823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}