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Title: Materials Data on Sr3Li4(GeN3)2 by Materials Project

Abstract

Li4Sr3Ge2N6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form distorted LiN4 tetrahedra that share corners with two equivalent SrN6 octahedra, corners with three equivalent LiN4 tetrahedra, corners with three equivalent GeN4 tetrahedra, an edgeedge with one SrN6 octahedra, an edgeedge with one GeN4 tetrahedra, and edges with two equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–89°. There are a spread of Li–N bond distances ranging from 2.01–2.45 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.64–2.81 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form distorted SrN6 octahedra that share corners with four equivalent GeN4 tetrahedra, corners with eight equivalent LiN4 tetrahedra, edges with two equivalent GeN4 tetrahedra, and edges with four equivalent LiN4 tetrahedra. There are four shorter (2.74 Å) and two longer (2.96 Å) Sr–N bond lengths. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with two equivalent SrN6 octahedra, corners with six equivalent LiN4 tetrahedra,more » an edgeedge with one SrN6 octahedra, an edgeedge with one GeN4 tetrahedra, and edges with two equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–61°. There are a spread of Ge–N bond distances ranging from 1.85–2.04 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to three equivalent Li1+, three Sr2+, and one Ge4+ atom. In the second N3- site, N3- is bonded in a 7-coordinate geometry to two equivalent Li1+, three Sr2+, and two equivalent Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-567371
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; Sr3Li4(GeN3)2; Ge-Li-N-Sr
OSTI Identifier:
1273837
DOI:
10.17188/1273837

Citation Formats

The Materials Project. Materials Data on Sr3Li4(GeN3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273837.
The Materials Project. Materials Data on Sr3Li4(GeN3)2 by Materials Project. United States. doi:10.17188/1273837.
The Materials Project. 2020. "Materials Data on Sr3Li4(GeN3)2 by Materials Project". United States. doi:10.17188/1273837. https://www.osti.gov/servlets/purl/1273837. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1273837,
title = {Materials Data on Sr3Li4(GeN3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4Sr3Ge2N6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form distorted LiN4 tetrahedra that share corners with two equivalent SrN6 octahedra, corners with three equivalent LiN4 tetrahedra, corners with three equivalent GeN4 tetrahedra, an edgeedge with one SrN6 octahedra, an edgeedge with one GeN4 tetrahedra, and edges with two equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–89°. There are a spread of Li–N bond distances ranging from 2.01–2.45 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.64–2.81 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form distorted SrN6 octahedra that share corners with four equivalent GeN4 tetrahedra, corners with eight equivalent LiN4 tetrahedra, edges with two equivalent GeN4 tetrahedra, and edges with four equivalent LiN4 tetrahedra. There are four shorter (2.74 Å) and two longer (2.96 Å) Sr–N bond lengths. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with two equivalent SrN6 octahedra, corners with six equivalent LiN4 tetrahedra, an edgeedge with one SrN6 octahedra, an edgeedge with one GeN4 tetrahedra, and edges with two equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–61°. There are a spread of Ge–N bond distances ranging from 1.85–2.04 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to three equivalent Li1+, three Sr2+, and one Ge4+ atom. In the second N3- site, N3- is bonded in a 7-coordinate geometry to two equivalent Li1+, three Sr2+, and two equivalent Ge4+ atoms.},
doi = {10.17188/1273837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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