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Title: Materials Data on RbPr3 by Materials Project

Abstract

RbPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Pr atoms to form RbPr12 cuboctahedra that share corners with four equivalent RbPr12 cuboctahedra, corners with eight equivalent PrRb4Pr8 cuboctahedra, edges with eight equivalent RbPr12 cuboctahedra, edges with sixteen equivalent PrRb4Pr8 cuboctahedra, faces with four equivalent RbPr12 cuboctahedra, and faces with fourteen PrRb4Pr8 cuboctahedra. There are four shorter (3.84 Å) and eight longer (3.88 Å) Rb–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Rb and eight Pr atoms to form PrRb4Pr8 cuboctahedra that share corners with twelve equivalent PrRb4Pr8 cuboctahedra, edges with eight equivalent RbPr12 cuboctahedra, edges with sixteen PrRb4Pr8 cuboctahedra, faces with four equivalent RbPr12 cuboctahedra, and faces with fourteen PrRb4Pr8 cuboctahedra. There are four shorter (3.84 Å) and four longer (3.88 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Rb and eight equivalent Pr atoms to form PrRb4Pr8 cuboctahedra that share corners with four equivalent PrRb4Pr8 cuboctahedra, corners with eight equivalent RbPr12 cuboctahedra, edges with twenty-four PrRb4Pr8 cuboctahedra, faces with six equivalent RbPr12 cuboctahedra, and faces withmore » twelve PrRb4Pr8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-975253
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; RbPr3; Pr-Rb
OSTI Identifier:
1314749
DOI:
10.17188/1314749

Citation Formats

The Materials Project. Materials Data on RbPr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314749.
The Materials Project. Materials Data on RbPr3 by Materials Project. United States. doi:10.17188/1314749.
The Materials Project. 2020. "Materials Data on RbPr3 by Materials Project". United States. doi:10.17188/1314749. https://www.osti.gov/servlets/purl/1314749. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314749,
title = {Materials Data on RbPr3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Pr atoms to form RbPr12 cuboctahedra that share corners with four equivalent RbPr12 cuboctahedra, corners with eight equivalent PrRb4Pr8 cuboctahedra, edges with eight equivalent RbPr12 cuboctahedra, edges with sixteen equivalent PrRb4Pr8 cuboctahedra, faces with four equivalent RbPr12 cuboctahedra, and faces with fourteen PrRb4Pr8 cuboctahedra. There are four shorter (3.84 Å) and eight longer (3.88 Å) Rb–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Rb and eight Pr atoms to form PrRb4Pr8 cuboctahedra that share corners with twelve equivalent PrRb4Pr8 cuboctahedra, edges with eight equivalent RbPr12 cuboctahedra, edges with sixteen PrRb4Pr8 cuboctahedra, faces with four equivalent RbPr12 cuboctahedra, and faces with fourteen PrRb4Pr8 cuboctahedra. There are four shorter (3.84 Å) and four longer (3.88 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Rb and eight equivalent Pr atoms to form PrRb4Pr8 cuboctahedra that share corners with four equivalent PrRb4Pr8 cuboctahedra, corners with eight equivalent RbPr12 cuboctahedra, edges with twenty-four PrRb4Pr8 cuboctahedra, faces with six equivalent RbPr12 cuboctahedra, and faces with twelve PrRb4Pr8 cuboctahedra.},
doi = {10.17188/1314749},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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