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Title: Materials Data on MnGeTe2 by Materials Project

Abstract

MnGeTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent MnTe6 octahedra, edges with four equivalent MnTe6 octahedra, and edges with eight equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Mn–Te bond lengths. Ge2+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with six equivalent GeTe6 octahedra, edges with four equivalent GeTe6 octahedra, and edges with eight equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four equivalent Mn2+ and two equivalent Ge2+ atoms to form a mixture of edge and corner-sharing TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to two equivalent Mn2+ and four equivalent Ge2+ atoms to form TeMn2Ge4 octahedra that share corners with six equivalent TeMn2Ge4 octahedra and edges with twelve TeMn4Ge2 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1221610
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; MnGeTe2; Ge-Mn-Te
OSTI Identifier:
1744633
DOI:
https://doi.org/10.17188/1744633

Citation Formats

The Materials Project. Materials Data on MnGeTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744633.
The Materials Project. Materials Data on MnGeTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1744633
The Materials Project. 2020. "Materials Data on MnGeTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1744633. https://www.osti.gov/servlets/purl/1744633. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744633,
title = {Materials Data on MnGeTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnGeTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent MnTe6 octahedra, edges with four equivalent MnTe6 octahedra, and edges with eight equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Mn–Te bond lengths. Ge2+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with six equivalent GeTe6 octahedra, edges with four equivalent GeTe6 octahedra, and edges with eight equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four equivalent Mn2+ and two equivalent Ge2+ atoms to form a mixture of edge and corner-sharing TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to two equivalent Mn2+ and four equivalent Ge2+ atoms to form TeMn2Ge4 octahedra that share corners with six equivalent TeMn2Ge4 octahedra and edges with twelve TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1744633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}