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Title: Materials Data on Sr4Be3Ge5 by Materials Project

Abstract

Sr4Be3Ge5 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to three equivalent Be and nine Ge atoms to form a mixture of edge and face-sharing SrBe3Ge9 cuboctahedra. All Sr–Be bond lengths are 3.26 Å. There are three shorter (3.26 Å) and six longer (3.41 Å) Sr–Ge bond lengths. In the second Sr site, Sr is bonded to six Be and six Ge atoms to form a mixture of edge and face-sharing SrBe6Ge6 cuboctahedra. There are three shorter (3.34 Å) and three longer (3.35 Å) Sr–Be bond lengths. All Sr–Ge bond lengths are 3.34 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Ge atoms. All Be–Ge bond lengths are 2.41 Å. In the second Be site, Be is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ge atoms. All Be–Ge bond lengths are 2.41 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometrymore » to six equivalent Sr and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.41 Å. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Be atoms. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Be atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ge atoms.« less

Publication Date:
Other Number(s):
mp-1218455
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; Sr4Be3Ge5; Be-Ge-Sr
OSTI Identifier:
1757773
DOI:
https://doi.org/10.17188/1757773

Citation Formats

The Materials Project. Materials Data on Sr4Be3Ge5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757773.
The Materials Project. Materials Data on Sr4Be3Ge5 by Materials Project. United States. doi:https://doi.org/10.17188/1757773
The Materials Project. 2020. "Materials Data on Sr4Be3Ge5 by Materials Project". United States. doi:https://doi.org/10.17188/1757773. https://www.osti.gov/servlets/purl/1757773. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757773,
title = {Materials Data on Sr4Be3Ge5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4Be3Ge5 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to three equivalent Be and nine Ge atoms to form a mixture of edge and face-sharing SrBe3Ge9 cuboctahedra. All Sr–Be bond lengths are 3.26 Å. There are three shorter (3.26 Å) and six longer (3.41 Å) Sr–Ge bond lengths. In the second Sr site, Sr is bonded to six Be and six Ge atoms to form a mixture of edge and face-sharing SrBe6Ge6 cuboctahedra. There are three shorter (3.34 Å) and three longer (3.35 Å) Sr–Be bond lengths. All Sr–Ge bond lengths are 3.34 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Ge atoms. All Be–Ge bond lengths are 2.41 Å. In the second Be site, Be is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ge atoms. All Be–Ge bond lengths are 2.41 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.41 Å. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Be atoms. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Be atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ge atoms.},
doi = {10.17188/1757773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}