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Title: Materials Data on Rh2(Se3Br2)3 by Materials Project

Abstract

Rh2Se9Br2(Br)4 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of thirty-two hydrobromic acid molecules and eight Rh2Se9Br2 clusters. In each Rh2Se9Br2 cluster, Rh3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. All Rh–Se bond lengths are 2.42 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and two Se2- atoms. There are one shorter (2.38 Å) and one longer (2.54 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two Se2- and one Br2+ atom. The Se–Se bond length is 2.42 Å. The Se–Br bond length is 3.12 Å. In the third Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Se2- atoms. Both Se–Se bond lengths are 2.38 Å. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and two Se2- atoms. In the fifth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Rh3+ and two Se2- atoms. The Se–Se bond length is 2.49 Å. Br2+ is bonded in a 1-coordinate geometry tomore » one Se2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1194813
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; Rh2(Se3Br2)3; Br-Rh-Se
OSTI Identifier:
1689064
DOI:
https://doi.org/10.17188/1689064

Citation Formats

The Materials Project. Materials Data on Rh2(Se3Br2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689064.
The Materials Project. Materials Data on Rh2(Se3Br2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1689064
The Materials Project. 2020. "Materials Data on Rh2(Se3Br2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1689064. https://www.osti.gov/servlets/purl/1689064. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1689064,
title = {Materials Data on Rh2(Se3Br2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rh2Se9Br2(Br)4 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of thirty-two hydrobromic acid molecules and eight Rh2Se9Br2 clusters. In each Rh2Se9Br2 cluster, Rh3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. All Rh–Se bond lengths are 2.42 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and two Se2- atoms. There are one shorter (2.38 Å) and one longer (2.54 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two Se2- and one Br2+ atom. The Se–Se bond length is 2.42 Å. The Se–Br bond length is 3.12 Å. In the third Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Se2- atoms. Both Se–Se bond lengths are 2.38 Å. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and two Se2- atoms. In the fifth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Rh3+ and two Se2- atoms. The Se–Se bond length is 2.49 Å. Br2+ is bonded in a 1-coordinate geometry to one Se2- atom.},
doi = {10.17188/1689064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}