Materials Data on Zn(InSe2)2 by Materials Project

doi:10.17188/1198819

Title: Materials Data on Zn(InSe2)2 by Materials Project

Dataset
Other Related Research

Abstract

ZnIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two In3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-22607

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; Zn(InSe2)2; In-Se-Zn

OSTI Identifier:: 1198819

DOI:: https://doi.org/10.17188/1198819

Citation Formats


                    The Materials Project. Materials Data on Zn(InSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198819.

Copy to clipboard


                    The Materials Project. Materials Data on Zn(InSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198819

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Zn(InSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198819.  https://www.osti.gov/servlets/purl/1198819. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1198819,

  title        = {Materials Data on Zn(InSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two In3+ atoms.},

  doi          = {10.17188/1198819},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1198819

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Zn(InSe2)2 by Materials Project

Dataset The Materials Project

ZnIn2Se4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Zn2+ is bonded to four Se2- atoms to form ZnSe4 tetrahedra that share corners with eight equivalent InSe4 tetrahedra. There are three shorter (2.50 Å) and one longer (2.51 Å) Zn–Se bond lengths. In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+more »« less
Materials Data on Zn(InSe2)2 by Materials Project

Dataset The Materials Project

ZnIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–Se bond lengths are 2.54 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.78 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+more » atoms.« less
Materials Data on Zn(InSe2)3 by Materials Project

Dataset The Materials Project

ZnIn2Se4InSe2 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one InSe2 sheet oriented in the (0, 0, 1) direction and one ZnIn2Se4 sheet oriented in the (0, 0, 1) direction. In the InSe2 sheet, In3+ is bonded to four Se+1.83- atoms to form corner-sharing InSe4 tetrahedra. There are one shorter (2.53 Å) and three longer (2.69 Å) In–Se bond lengths. There are two inequivalent Se+1.83- sites. In the first Se+1.83- site, Se+1.83- is bonded in a single-bond geometry to one In3+ atom. In the second Se+1.83- site, Se+1.83- is bonded in a distorted trigonalmore »« less
Materials Data on Cd(InSe2)2 by Materials Project

Dataset The Materials Project

CdIn2Se4 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cd2+ is bonded to six Se2- atoms to form CdSe6 octahedra that share corners with two equivalent InSe6 octahedra, corners with four equivalent CdSe6 octahedra, and edges with eight InSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. All Cd–Se bond lengths are 2.88 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six Se2- atoms to form InSe6 octahedra that share corners with two equivalent CdSe6 octahedra, corners with four equivalent InSe6 octahedra, edges with four equivalent CdSe6 octahedra,more »« less
Materials Data on Cd(InSe2)2 by Materials Project

Dataset The Materials Project

CdIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cd–Se bond lengths are 2.70 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent CdSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.79 Å. Se2- is bonded to one Cd2+ and three equivalent In3+ atoms to form a mixture ofmore »« less

Similar Records