Materials Data on Mn(GaSe2)2 by Materials Project

doi:10.17188/1683656

Title: Materials Data on Mn(GaSe2)2 by Materials Project

Dataset
Other Related Research

Abstract

MnGa2Se4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with eight equivalent GaSe4 tetrahedra. All Mn–Se bond lengths are 2.54 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.47 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two equivalent Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1078002

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; Mn(GaSe2)2; Ga-Mn-Se

OSTI Identifier:: 1683656

DOI:: https://doi.org/10.17188/1683656

Citation Formats


                    The Materials Project. Materials Data on Mn(GaSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683656.

Copy to clipboard


                    The Materials Project. Materials Data on Mn(GaSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683656

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mn(GaSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683656.  https://www.osti.gov/servlets/purl/1683656. Pub date:Mon May 04 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1683656,

  title        = {Materials Data on Mn(GaSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnGa2Se4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with eight equivalent GaSe4 tetrahedra. All Mn–Se bond lengths are 2.54 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.47 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two equivalent Ga3+ atoms.},

  doi          = {10.17188/1683656},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1683656

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mn(GaSe2)2 by Materials Project

Dataset The Materials Project

MnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Mn–Se bond lengths are 2.54 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedramore »« less
Materials Data on Cd(GaSe2)2 by Materials Project

Dataset The Materials Project

CdGa2Se4 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 GaSe6 octahedra, corners with four equivalent CdSe6 octahedra, and edges with eight GaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are four shorter (2.80 Å) and two longer (2.87 Å) Cd–Se bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six Se2- atoms to form GaSe6 octahedra that share corners with four equivalent GaSe6 octahedra, edges with four equivalent CdSe6more »« less
Materials Data on Cd(GaSe2)2 by Materials Project

Dataset The Materials Project

CdGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Cd–Se bond lengths are 2.69 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedramore »« less
Materials Data on Ca(GaSe2)2 by Materials Project

Dataset The Materials Project

CaGa2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.16 Å) and four longer (3.21 Å) Ca–Se bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.14 Å) and four longer (3.22 Å) Ca–Se bond lengths. In the third Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ca–Semore »« less
Materials Data on Zn(GaSe2)2 by Materials Project

Dataset The Materials Project

ZnGa2Se4 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 GaSe4 tetrahedra. All Zn–Se bond lengths are 2.50 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedramore »« less

Similar Records