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Title: Materials Data on Rb2PdSe16 by Materials Project

Abstract

RbRbPdSe16 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional and consists of two rubidium molecules and one RbPdSe16 framework. In the RbPdSe16 framework, Rb1+ is bonded in a distorted cuboctahedral geometry to twelve Se+0.38- atoms. There are eight shorter (3.96 Å) and four longer (4.09 Å) Rb–Se bond lengths. Pd4+ is bonded in a square co-planar geometry to four equivalent Se+0.38- atoms. All Pd–Se bond lengths are 2.47 Å. There are four inequivalent Se+0.38- sites. In the first Se+0.38- site, Se+0.38- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.38- atoms. There are one shorter (2.40 Å) and one longer (2.42 Å) Se–Se bond lengths. In the second Se+0.38- site, Se+0.38- is bonded in a 1-coordinate geometry to one Rb1+, one Pd4+, and one Se+0.38- atom. The Se–Se bond length is 2.39 Å. In the third Se+0.38- site, Se+0.38- is bonded in a distorted water-like geometry to two Se+0.38- atoms. The Se–Se bond length is 2.41 Å. In the fourth Se+0.38- site, Se+0.38- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.38- atoms. The Se–Se bond length is 2.40 Å.

Publication Date:
Other Number(s):
mp-31292
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; Rb2PdSe16; Pd-Rb-Se
OSTI Identifier:
1205565
DOI:
https://doi.org/10.17188/1205565

Citation Formats

The Materials Project. Materials Data on Rb2PdSe16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205565.
The Materials Project. Materials Data on Rb2PdSe16 by Materials Project. United States. doi:https://doi.org/10.17188/1205565
The Materials Project. 2020. "Materials Data on Rb2PdSe16 by Materials Project". United States. doi:https://doi.org/10.17188/1205565. https://www.osti.gov/servlets/purl/1205565. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1205565,
title = {Materials Data on Rb2PdSe16 by Materials Project},
author = {The Materials Project},
abstractNote = {RbRbPdSe16 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional and consists of two rubidium molecules and one RbPdSe16 framework. In the RbPdSe16 framework, Rb1+ is bonded in a distorted cuboctahedral geometry to twelve Se+0.38- atoms. There are eight shorter (3.96 Å) and four longer (4.09 Å) Rb–Se bond lengths. Pd4+ is bonded in a square co-planar geometry to four equivalent Se+0.38- atoms. All Pd–Se bond lengths are 2.47 Å. There are four inequivalent Se+0.38- sites. In the first Se+0.38- site, Se+0.38- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.38- atoms. There are one shorter (2.40 Å) and one longer (2.42 Å) Se–Se bond lengths. In the second Se+0.38- site, Se+0.38- is bonded in a 1-coordinate geometry to one Rb1+, one Pd4+, and one Se+0.38- atom. The Se–Se bond length is 2.39 Å. In the third Se+0.38- site, Se+0.38- is bonded in a distorted water-like geometry to two Se+0.38- atoms. The Se–Se bond length is 2.41 Å. In the fourth Se+0.38- site, Se+0.38- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.38- atoms. The Se–Se bond length is 2.40 Å.},
doi = {10.17188/1205565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}