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Title: Materials Data on La3Ge3Cl2 by Materials Project

Abstract

La3Ge3Cl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to four Ge and four Cl atoms. There are two shorter (3.09 Å) and two longer (3.16 Å) La–Ge bond lengths. There are one shorter (2.91 Å) and three longer (3.04 Å) La–Cl bond lengths. In the second La site, La is bonded in a 1-coordinate geometry to eight Ge and one Cl atom. There are a spread of La–Ge bond distances ranging from 3.17–3.29 Å. The La–Cl bond length is 3.05 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Ge and three equivalent Cl atoms. There are a spread of La–Ge bond distances ranging from 3.12–3.43 Å. There are two shorter (3.09 Å) and one longer (3.19 Å) La–Cl bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. There are one shorter (2.56 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometrymore » to six La and two Ge atoms. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. The Ge–Ge bond length is 2.60 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to four La atoms to form a mixture of distorted edge and corner-sharing ClLa4 tetrahedra. In the second Cl site, Cl is bonded to four La atoms to form a mixture of distorted edge and corner-sharing ClLa4 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-582828
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; La3Ge3Cl2; Cl-Ge-La
OSTI Identifier:
1277012
DOI:
https://doi.org/10.17188/1277012

Citation Formats

The Materials Project. Materials Data on La3Ge3Cl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277012.
The Materials Project. Materials Data on La3Ge3Cl2 by Materials Project. United States. doi:https://doi.org/10.17188/1277012
The Materials Project. 2020. "Materials Data on La3Ge3Cl2 by Materials Project". United States. doi:https://doi.org/10.17188/1277012. https://www.osti.gov/servlets/purl/1277012. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1277012,
title = {Materials Data on La3Ge3Cl2 by Materials Project},
author = {The Materials Project},
abstractNote = {La3Ge3Cl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to four Ge and four Cl atoms. There are two shorter (3.09 Å) and two longer (3.16 Å) La–Ge bond lengths. There are one shorter (2.91 Å) and three longer (3.04 Å) La–Cl bond lengths. In the second La site, La is bonded in a 1-coordinate geometry to eight Ge and one Cl atom. There are a spread of La–Ge bond distances ranging from 3.17–3.29 Å. The La–Cl bond length is 3.05 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Ge and three equivalent Cl atoms. There are a spread of La–Ge bond distances ranging from 3.12–3.43 Å. There are two shorter (3.09 Å) and one longer (3.19 Å) La–Cl bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. There are one shorter (2.56 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. The Ge–Ge bond length is 2.60 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to four La atoms to form a mixture of distorted edge and corner-sharing ClLa4 tetrahedra. In the second Cl site, Cl is bonded to four La atoms to form a mixture of distorted edge and corner-sharing ClLa4 trigonal pyramids.},
doi = {10.17188/1277012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}