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Title: Materials Data on La3Ge3Br2 by Materials Project

Abstract

La3Ge3Br2 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 9-coordinate geometry to eight Ge and one Br atom. There are a spread of La–Ge bond distances ranging from 3.22–3.31 Å. The La–Br bond length is 3.18 Å. In the second La site, La is bonded in a 8-coordinate geometry to four Ge and four Br atoms. There are two shorter (3.11 Å) and two longer (3.19 Å) La–Ge bond lengths. There are a spread of La–Br bond distances ranging from 3.04–3.20 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Ge and three equivalent Br atoms. There are a spread of La–Ge bond distances ranging from 3.16–3.44 Å. There are two shorter (3.21 Å) and one longer (3.40 Å) La–Br 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 (2.58 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to sixmore » La and two Ge atoms. There are one shorter (2.58 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four La atoms. In the second Br site, Br is bonded to four La atoms to form a mixture of distorted corner and edge-sharing BrLa4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-672231
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; La3Ge3Br2; Br-Ge-La
OSTI Identifier:
1281789
DOI:
10.17188/1281789

Citation Formats

The Materials Project. Materials Data on La3Ge3Br2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281789.
The Materials Project. Materials Data on La3Ge3Br2 by Materials Project. United States. doi:10.17188/1281789.
The Materials Project. 2020. "Materials Data on La3Ge3Br2 by Materials Project". United States. doi:10.17188/1281789. https://www.osti.gov/servlets/purl/1281789. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281789,
title = {Materials Data on La3Ge3Br2 by Materials Project},
author = {The Materials Project},
abstractNote = {La3Ge3Br2 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 9-coordinate geometry to eight Ge and one Br atom. There are a spread of La–Ge bond distances ranging from 3.22–3.31 Å. The La–Br bond length is 3.18 Å. In the second La site, La is bonded in a 8-coordinate geometry to four Ge and four Br atoms. There are two shorter (3.11 Å) and two longer (3.19 Å) La–Ge bond lengths. There are a spread of La–Br bond distances ranging from 3.04–3.20 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Ge and three equivalent Br atoms. There are a spread of La–Ge bond distances ranging from 3.16–3.44 Å. There are two shorter (3.21 Å) and one longer (3.40 Å) La–Br 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 (2.58 Å) and one longer (2.62 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. There are one shorter (2.58 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four La atoms. In the second Br site, Br is bonded to four La atoms to form a mixture of distorted corner and edge-sharing BrLa4 tetrahedra.},
doi = {10.17188/1281789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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