Materials Data on SnSe by Materials Project

doi:10.17188/1752697

Title: Materials Data on SnSe by Materials Project

Abstract

SnSe crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four SnSe ribbons oriented in the (1, 0, 0) direction. Sn2+ is bonded in a bent 120 degrees geometry to two equivalent Se2- atoms. There are one shorter (2.58 Å) and one longer (2.59 Å) Sn–Se bond lengths. Se2- is bonded in a linear geometry to two equivalent Sn2+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1205455

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; SnSe; Se-Sn

OSTI Identifier:: 1752697

DOI:: https://doi.org/10.17188/1752697

Citation Formats


                    The Materials Project. Materials Data on SnSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752697.

Copy to clipboard


                    The Materials Project. Materials Data on SnSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1752697

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SnSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1752697.  https://www.osti.gov/servlets/purl/1752697. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1752697,

  title        = {Materials Data on SnSe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnSe crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four SnSe ribbons oriented in the (1, 0, 0) direction. Sn2+ is bonded in a bent 120 degrees geometry to two equivalent Se2- atoms. There are one shorter (2.58 Å) and one longer (2.59 Å) Sn–Se bond lengths. Se2- is bonded in a linear geometry to two equivalent Sn2+ atoms.},

  doi          = {10.17188/1752697},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1752697

Save / Share:

Export Metadata

Save to My Library

The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

Works referenced in this record:

Porous Silicon and Alumina as Chemically Reactive Templates for the Synthesis of Tubes and Wires of SnSe, Sn, and SnO2
journal, January 2006

Zhao, Lili; Yosef, Maekele; Steinhart, Martin
Angewandte Chemie International Edition, Vol. 45, Issue 2
https://doi.org/10.1002/anie.200502665

Solution-Phase Synthesis and Characterization of Single-Crystalline SnSe Nanowires
journal, October 2011

Liu, Sheng; Guo, Xiaoyang; Li, Mingrun
Angewandte Chemie International Edition, Vol. 50, Issue 50
https://doi.org/10.1002/anie.201105614

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

Materials Data on SnSe by Materials Project

Dataset The Materials Project

SnSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sn2+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing SnSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Se bond lengths are 3.03 Å. Se2- is bonded to six equivalent Sn2+ atoms to form a mixture of corner and edge-sharing SeSn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on SnSe by Materials Project

Dataset The Materials Project

SnSe crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two SnSe sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded to five equivalent Se2- atoms to form a mixture of corner and edge-sharing SnSe5 square pyramids. There are one shorter (2.74 Å) and four longer (3.04 Å) Sn–Se bond lengths. Se2- is bonded to five equivalent Sn2+ atoms to form a mixture of corner and edge-sharing SeSn5 square pyramids.
Materials Data on SnSe by Materials Project

Dataset The Materials Project

SnSe crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two SnSe sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.76 Å) and two longer (3.06 Å) Sn–Se bond lengths. Se2- is bonded in a rectangular see-saw-like geometry to four equivalent Sn2+ atoms.
Materials Data on SnSe by Materials Project

Dataset The Materials Project

SnSe crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SnSe sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 5-coordinate geometry to three equivalent Se2- atoms. There are one shorter (2.78 Å) and two longer (2.84 Å) Sn–Se bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent Sn2+ atoms.
Materials Data on Co2(SnSe)3 by Materials Project

Dataset The Materials Project

Co2(SnSe)3 is Hausmannite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to three Sn and three Se atoms to form CoSn3Se3 octahedra that share corners with six CoSn3Se3 octahedra, corners with four equivalent SnCo2Se2 tetrahedra, and corners with four equivalent SeCo2Sn2 tetrahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Co–Sn bond distances ranging from 2.51–2.54 Å. There are one shorter (2.39 Å) and two longer (2.42 Å) Co–Se bond lengths. In the second Co site,more »« less

Similar Records

Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

Title: Materials Data on SnSe by Materials Project

Abstract

Citation Formats

Porous Silicon and Alumina as Chemically Reactive Templates for the Synthesis of Tubes and Wires of SnSe, Sn, and SnO2 journal, January 2006

Solution-Phase Synthesis and Characterization of Single-Crystalline SnSe Nanowires journal, October 2011

Porous Silicon and Alumina as Chemically Reactive Templates for the Synthesis of Tubes and Wires of SnSe, Sn, and SnO2
journal, January 2006

Solution-Phase Synthesis and Characterization of Single-Crystalline SnSe Nanowires
journal, October 2011