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Title: Materials Data on La6Ge11 by Materials Project

Abstract

La6Ge11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are twelve inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.19–3.31 Å. In the second La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.13–3.47 Å. In the third La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.13–3.70 Å. In the fourth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.49 Å. In the fifth La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.20–3.34 Å. In the sixth La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.20–3.34 Å. In the seventh La site, La is bonded in a 11-coordinate geometry to elevenmore » Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.47 Å. In the eighth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.13–3.70 Å. In the ninth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.15–3.49 Å. In the tenth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.15–3.68 Å. In the eleventh La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.18–3.31 Å. In the twelfth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.15–3.68 Å. There are twenty-two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six La and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.56–2.58 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.52–2.66 Å. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six La and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.60 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.52–2.66 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.47 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.47 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the tenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.48–2.63 Å. In the eleventh Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.58 Å. In the twelfth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the thirteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. The Ge–Ge bond length is 2.61 Å. In the fourteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the fifteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. The Ge–Ge bond length is 2.47 Å. In the sixteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.59 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the seventeenth Ge site, Ge is bonded in a 6-coordinate geometry to four La and two Ge atoms. In the eighteenth Ge site, Ge is bonded in a 6-coordinate geometry to four La and two Ge atoms. In the nineteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the twentieth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the twenty-first Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. The Ge–Ge bond length is 2.58 Å. In the twenty-second Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647589
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; La6Ge11; Ge-La
OSTI Identifier:
1280729
DOI:
10.17188/1280729

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La6Ge11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280729.
Persson, Kristin, & Project, Materials. Materials Data on La6Ge11 by Materials Project. United States. doi:10.17188/1280729.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La6Ge11 by Materials Project". United States. doi:10.17188/1280729. https://www.osti.gov/servlets/purl/1280729. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280729,
title = {Materials Data on La6Ge11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La6Ge11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are twelve inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.19–3.31 Å. In the second La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.13–3.47 Å. In the third La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.13–3.70 Å. In the fourth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.49 Å. In the fifth La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.20–3.34 Å. In the sixth La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.20–3.34 Å. In the seventh La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.47 Å. In the eighth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.13–3.70 Å. In the ninth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.15–3.49 Å. In the tenth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.15–3.68 Å. In the eleventh La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.18–3.31 Å. In the twelfth La site, La is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of La–Ge bond distances ranging from 3.15–3.68 Å. There are twenty-two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six La and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.56–2.58 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.52–2.66 Å. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six La and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.60 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.52–2.66 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.47 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.47 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the tenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.48–2.63 Å. In the eleventh Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.58 Å. In the twelfth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the thirteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. The Ge–Ge bond length is 2.61 Å. In the fourteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the fifteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. The Ge–Ge bond length is 2.47 Å. In the sixteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.59 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the seventeenth Ge site, Ge is bonded in a 6-coordinate geometry to four La and two Ge atoms. In the eighteenth Ge site, Ge is bonded in a 6-coordinate geometry to four La and two Ge atoms. In the nineteenth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the twentieth Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. In the twenty-first Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. The Ge–Ge bond length is 2.58 Å. In the twenty-second Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms.},
doi = {10.17188/1280729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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