Materials Data on Ge(SbTe2)2 by Materials Project

doi:10.17188/1688262

Title: Materials Data on Ge(SbTe2)2 by Materials Project

Dataset
Other Related Research

Abstract

Ge(SbTe2)2 is MAX Phase-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Ge(SbTe2)2 sheets oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three shorter (2.86 Å) and three longer (3.32 Å) Ge–Te bond lengths. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.02 Å) and three longer (3.21 Å) Sb–Te bond lengths. In the second Sb2+ site, Sb2+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with nine SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are three shorter (3.03 Å) and three longer (3.16 Å) Sb–Te bond lengths. There are four inequivalentmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1224350

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ge(SbTe2)2; Ge-Sb-Te

OSTI Identifier:: 1688262

DOI:: https://doi.org/10.17188/1688262

Citation Formats


                    The Materials Project. Materials Data on Ge(SbTe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1688262.

Copy to clipboard


                    The Materials Project. Materials Data on Ge(SbTe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688262

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ge(SbTe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688262.  https://www.osti.gov/servlets/purl/1688262. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1688262,

  title        = {Materials Data on Ge(SbTe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ge(SbTe2)2 is MAX Phase-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Ge(SbTe2)2 sheets oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three shorter (2.86 Å) and three longer (3.32 Å) Ge–Te bond lengths. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.02 Å) and three longer (3.21 Å) Sb–Te bond lengths. In the second Sb2+ site, Sb2+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with nine SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are three shorter (3.03 Å) and three longer (3.16 Å) Sb–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Ge4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Sb2+ atoms. In the third Te2- site, Te2- is bonded to six Sb2+ atoms to form TeSb6 octahedra that share corners with three equivalent TeGe3Sb3 octahedra and edges with nine TeSb6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth Te2- site, Te2- is bonded to three equivalent Ge4+ and three equivalent Sb2+ atoms to form a mixture of edge and corner-sharing TeGe3Sb3 octahedra. The corner-sharing octahedral tilt angles are 3°.},

  doi          = {10.17188/1688262},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1688262

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Ge(SbTe2)2 by Materials Project

Dataset The Materials Project

Ge(SbTe2)2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with two equivalent SbTe6 octahedra, corners with four equivalent GeTe6 octahedra, and edges with eight SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (3.00 Å) and four longer (3.06 Å) Ge–Te bond lengths. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent GeTe6 octahedra, corners with four equivalent SbTe6more »« less
Materials Data on Ge(SbTe2)2 by Materials Project

Dataset The Materials Project

Ge(SbTe2)2 is Calaverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ge(SbTe2)2 sheets oriented in the (0, 0, 1) direction. Ge4+ is bonded to six equivalent Te2- atoms to form GeTe6 octahedra that share corners with six equivalent TeSb3Te3 octahedra, edges with six equivalent GeTe6 octahedra, and edges with six equivalent TeSb3Te3 octahedra. The corner-sharing octahedral tilt angles are 7°. All Ge–Te bond lengths are 3.01 Å. Sb2+ is bonded in a distorted T-shaped geometry to three equivalent Te2- atoms. All Sb–Te bond lengths are 3.03 Å. There are two inequivalentmore »« less
Materials Data on Ge(SbTe2)2 by Materials Project

Dataset The Materials Project

Ge(SbTe2)2 is MAX Phase-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Ge(SbTe2)2 sheets oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three shorter (2.85 Å) and three longer (3.27 Å) Ge–Te bond lengths. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded to six Te2-more »« less
Materials Data on Sm(SbTe2)2 by Materials Project

Dataset The Materials Project

Sm(SbTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. There are four shorter (3.20 Å) and four longer (3.50 Å) Sm–Te bond lengths. Sb3+ is bonded to six equivalent Te2- atoms to form a mixture of corner and edge-sharing SbTe6 pentagonal pyramids. There are a spread of Sb–Te bond distances ranging from 3.02–3.29 Å. Te2- is bonded in a 5-coordinate geometry to two equivalent Sm2+ and three equivalent Sb3+ atoms.
Materials Data on Sn(SbTe2)2 by Materials Project

Dataset The Materials Project

SnSb2Te4 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three SnSb2Te4 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded to six equivalent Te2- atoms to form SnTe6 octahedra that share corners with six equivalent SbTe6 octahedra, edges with six equivalent SnTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Sn–Te bond lengths are 3.17 Å. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent SnTe6 octahedra, edges with three equivalentmore »« less

Similar Records