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Title: Materials Data on Mg2GeB2Rh5 by Materials Project

Abstract

Mg2Rh5B2Ge crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Rh, and three B atoms. Both Mg–Mg bond lengths are 2.94 Å. There are a spread of Mg–Rh bond distances ranging from 2.75–2.94 Å. There are one shorter (2.67 Å) and two longer (2.86 Å) Mg–B bond lengths. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Rh, and three B atoms. Both Mg–Mg bond lengths are 2.94 Å. There are a spread of Mg–Rh bond distances ranging from 2.75–2.94 Å. There are one shorter (2.67 Å) and two longer (2.86 Å) Mg–B bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent B, and two equivalent Ge atoms. Both Rh–B bond lengths are 2.17 Å. Both Rh–Ge bond lengths are 2.58 Å. In the second Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Rh–B bond lengths aremore » 2.22 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Mg and six Rh atoms. All B–Rh bond lengths are 2.17 Å. In the second B site, B is bonded in a 6-coordinate geometry to three Mg and six Rh atoms. Both B–Rh bond lengths are 2.22 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-505693
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; Mg2GeB2Rh5; B-Ge-Mg-Rh
OSTI Identifier:
1262700
DOI:
https://doi.org/10.17188/1262700

Citation Formats

The Materials Project. Materials Data on Mg2GeB2Rh5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262700.
The Materials Project. Materials Data on Mg2GeB2Rh5 by Materials Project. United States. doi:https://doi.org/10.17188/1262700
The Materials Project. 2020. "Materials Data on Mg2GeB2Rh5 by Materials Project". United States. doi:https://doi.org/10.17188/1262700. https://www.osti.gov/servlets/purl/1262700. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262700,
title = {Materials Data on Mg2GeB2Rh5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Rh5B2Ge crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Rh, and three B atoms. Both Mg–Mg bond lengths are 2.94 Å. There are a spread of Mg–Rh bond distances ranging from 2.75–2.94 Å. There are one shorter (2.67 Å) and two longer (2.86 Å) Mg–B bond lengths. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Rh, and three B atoms. Both Mg–Mg bond lengths are 2.94 Å. There are a spread of Mg–Rh bond distances ranging from 2.75–2.94 Å. There are one shorter (2.67 Å) and two longer (2.86 Å) Mg–B bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent B, and two equivalent Ge atoms. Both Rh–B bond lengths are 2.17 Å. Both Rh–Ge bond lengths are 2.58 Å. In the second Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Rh–B bond lengths are 2.22 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Mg and six Rh atoms. All B–Rh bond lengths are 2.17 Å. In the second B site, B is bonded in a 6-coordinate geometry to three Mg and six Rh atoms. Both B–Rh bond lengths are 2.22 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.},
doi = {10.17188/1262700},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}