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Title: Materials Data on La15Ge9O by Materials Project

Abstract

La15Ge9O crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded to six Ge atoms to form a mixture of distorted edge, face, and corner-sharing LaGe6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. There are a spread of La–Ge bond distances ranging from 3.19–3.33 Å. In the second La site, La is bonded in a distorted single-bond geometry to five Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.91 Å. The La–O bond length is 2.67 Å. In the third La site, La is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.33 Å. In the fourth La site, La is bonded in a distorted single-bond geometry to four Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.28 Å. The La–O bond length is 2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the second Ge site, Ge is bonded in amore » 9-coordinate geometry to nine La atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. O is bonded in an octahedral geometry to six La atoms.« less

Publication Date:
Other Number(s):
mp-1212654
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; La15Ge9O; Ge-La-O
OSTI Identifier:
1651990
DOI:
https://doi.org/10.17188/1651990

Citation Formats

The Materials Project. Materials Data on La15Ge9O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651990.
The Materials Project. Materials Data on La15Ge9O by Materials Project. United States. doi:https://doi.org/10.17188/1651990
The Materials Project. 2020. "Materials Data on La15Ge9O by Materials Project". United States. doi:https://doi.org/10.17188/1651990. https://www.osti.gov/servlets/purl/1651990. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1651990,
title = {Materials Data on La15Ge9O by Materials Project},
author = {The Materials Project},
abstractNote = {La15Ge9O crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded to six Ge atoms to form a mixture of distorted edge, face, and corner-sharing LaGe6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. There are a spread of La–Ge bond distances ranging from 3.19–3.33 Å. In the second La site, La is bonded in a distorted single-bond geometry to five Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.91 Å. The La–O bond length is 2.67 Å. In the third La site, La is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.33 Å. In the fourth La site, La is bonded in a distorted single-bond geometry to four Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.28 Å. The La–O bond length is 2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. O is bonded in an octahedral geometry to six La atoms.},
doi = {10.17188/1651990},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}