DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ge2Sb2Te5 by Materials Project

Abstract

Ge2Sb2Te5 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ge2Sb2Te5 sheet oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with nine equivalent GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are three shorter (3.00 Å) and three longer (3.04 Å) Ge–Te bond lengths. Sb1+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (3.01 Å) and three longer (3.20 Å) Sb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Ge4+ atoms to form TeGe6 octahedra that share corners with six equivalent TeGe3Sb3 octahedra and edges with twelve TeGe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Te2- site, Te2- is bonded to three equivalent Ge4+ and threemore » equivalent Sb1+ atoms to form a mixture of edge and corner-sharing TeGe3Sb3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Sb1+ atoms.« less

Publication Date:
Other Number(s):
mp-1224375
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; Ge2Sb2Te5; Ge-Sb-Te
OSTI Identifier:
1722291
DOI:
https://doi.org/10.17188/1722291

Citation Formats

The Materials Project. Materials Data on Ge2Sb2Te5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722291.
The Materials Project. Materials Data on Ge2Sb2Te5 by Materials Project. United States. doi:https://doi.org/10.17188/1722291
The Materials Project. 2020. "Materials Data on Ge2Sb2Te5 by Materials Project". United States. doi:https://doi.org/10.17188/1722291. https://www.osti.gov/servlets/purl/1722291. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722291,
title = {Materials Data on Ge2Sb2Te5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge2Sb2Te5 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ge2Sb2Te5 sheet oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with nine equivalent GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are three shorter (3.00 Å) and three longer (3.04 Å) Ge–Te bond lengths. Sb1+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (3.01 Å) and three longer (3.20 Å) Sb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Ge4+ atoms to form TeGe6 octahedra that share corners with six equivalent TeGe3Sb3 octahedra and edges with twelve TeGe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Te2- site, Te2- is bonded to three equivalent Ge4+ and three equivalent Sb1+ atoms to form a mixture of edge and corner-sharing TeGe3Sb3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Sb1+ atoms.},
doi = {10.17188/1722291},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Electrical, optical, and thermal properties of Sn-doped phase change material Ge2Sb2Te5
journal, August 2012