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Title: Materials Data on Yb3(Ga2Ge3)2 by Materials Project

Abstract

Yb3(Ga2Ge3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Ga and seven Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.23–3.52 Å. There are a spread of Yb–Ge bond distances ranging from 2.98–3.47 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to two equivalent Ga and seven Ge atoms. Both Yb–Ga bond lengths are 3.20 Å. There are a spread of Yb–Ge bond distances ranging from 2.90–3.35 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to five Ga and seven Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.00–3.47 Å. There are a spread of Yb–Ge bond distances ranging from 3.12–3.27 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three Yb and four Ge atoms. There are three shorter (2.51 Å) and one longer (2.57 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded to two equivalent Yb and four Ge atoms to formmore » distorted edge-sharing GaYb2Ge4 tetrahedra. There are three shorter (2.53 Å) and one longer (2.58 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Yb and four Ge atoms. All Ga–Ge bond lengths are 2.55 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to four Yb and four Ge atoms. There are two shorter (2.54 Å) and two longer (2.62 Å) Ga–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Ga, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Yb, three Ga, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Yb, two equivalent Ga, and one Ge atom. In the fourth Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Yb, three Ga, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Ga atoms. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Yb, two Ga, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å.« less

Publication Date:
Other Number(s):
mp-568634
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; Yb3(Ga2Ge3)2; Ga-Ge-Yb
OSTI Identifier:
1274620
DOI:
https://doi.org/10.17188/1274620

Citation Formats

The Materials Project. Materials Data on Yb3(Ga2Ge3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274620.
The Materials Project. Materials Data on Yb3(Ga2Ge3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1274620
The Materials Project. 2020. "Materials Data on Yb3(Ga2Ge3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1274620. https://www.osti.gov/servlets/purl/1274620. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1274620,
title = {Materials Data on Yb3(Ga2Ge3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3(Ga2Ge3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Ga and seven Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.23–3.52 Å. There are a spread of Yb–Ge bond distances ranging from 2.98–3.47 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to two equivalent Ga and seven Ge atoms. Both Yb–Ga bond lengths are 3.20 Å. There are a spread of Yb–Ge bond distances ranging from 2.90–3.35 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to five Ga and seven Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.00–3.47 Å. There are a spread of Yb–Ge bond distances ranging from 3.12–3.27 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three Yb and four Ge atoms. There are three shorter (2.51 Å) and one longer (2.57 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded to two equivalent Yb and four Ge atoms to form distorted edge-sharing GaYb2Ge4 tetrahedra. There are three shorter (2.53 Å) and one longer (2.58 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Yb and four Ge atoms. All Ga–Ge bond lengths are 2.55 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to four Yb and four Ge atoms. There are two shorter (2.54 Å) and two longer (2.62 Å) Ga–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Ga, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Yb, three Ga, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Yb, two equivalent Ga, and one Ge atom. In the fourth Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Yb, three Ga, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Ga atoms. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Yb, two Ga, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å.},
doi = {10.17188/1274620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}