# Alloying induced superionic β-phase formation in Mg<sub>3</sub>Sb<sub>2</sub> based Zintl compounds

https://mdr.nims.go.jp/datasets/67ce0c17-d590-4012-80f6-3b33fc43010d

## File

- [Journal of Materials Chemistry A---Alloying induced superionic β-phase formation in Mg3Sb2 based Zintl compounds.pdf](https://mdr.nims.go.jp/filesets/99e05e68-4383-4a4f-8110-54abeb1fdaf6/download) ([Detail](https://mdr.nims.go.jp/filesets/99e05e68-4383-4a4f-8110-54abeb1fdaf6.md))

## Id

67ce0c17-d590-4012-80f6-3b33fc43010d

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-12-09T14:04:59.231669Z

## Updated at

2024-12-10T07:56:17.702307Z

## Published at

2024-12-10T23:30:20.794452Z

## Doi



## First published url

https://doi.org/10.1039/d4ta06173j

## Date published

2024-11-18

## Recorded date published

2024-12-9

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Alloying induced superionic β-phase formation in Mg<sub>3</sub>Sb<sub>2</sub>
    based Zintl compounds
  title_type: original
  lang: en

## Description

- description: "Off-centering phenomenon manifests as locally distorted configurations
    with broken symmetry in a crystal structure due to displacement of constituent
    atoms from their ideal coordination centers within the lattice. Defying the anticipated
    formation of anionic solid solutions of Mg3(Sb1−2xBixGex)2, herein we report Mg3(Sb,
    Bi)2 based monoclinic structure formation (Space Group - C2/m, 12) with off centering
    of dominant trigonal α-Mg3(Sb, Bi)2 phase and segregation of nanophase Mg3Ge upon
    equiatomic (Bi, Ge) alloying. A discordant nature of Ge is unveiled within the
    layered α-Mg3(Sb, Bi)2 structure and assessed employing (3+1) dimensional superspace
    to reveal an off-centering (dz) along the z direction for all the constituent
    atoms in the range of 0 – 0.2 Å at 300 K. The (Bi, Ge) alloying results in favourably
    tuning of the p-type conduction for attaining higher power factors by band engineering
    and synergistic reduction of lattice thermal conductivity. The stable monoclinic
    polymorph co-existing in an anionic solid solution of Mg3(Sb, Bi)2 provides a
    renewed basis for understanding the crystal structure and its transformation as
    CaAl2Si2-type Zintl compounds.\r\n"
  description_type: abstract
  lang: und

## Creator

- name: Nagendra Singh Chauhan
  role: author
  orcid: https://orcid.org/0000-0003-2579-6642
- name: Takao Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846

## Contact agent



## Publisher

organization: Royal Society of Chemistry (RSC)

## Managing organization



## Keyword

- subject: thermoelectric
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by-nc/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Journal of Materials Chemistry A
  issn: '20507488'
  volume: '12'
  issue: '47'

## Conference



## Related item



## Funding

- identifier: JPMJMI19A1
  funder_name: JST-Mirai Program

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 99e05e68-4383-4a4f-8110-54abeb1fdaf6
  filename: Journal of Materials Chemistry A---Alloying induced superionic β-phase
    formation in Mg3Sb2 based Zintl compounds.pdf
  content_type: application/pdf
  size: 1763120
  md5: 92ed4edee4b0cd651afcb0ee07ff4ebd

## Thumbnail

fileset_id: 99e05e68-4383-4a4f-8110-54abeb1fdaf6
filename: Journal of Materials Chemistry A---Alloying induced superionic β-phase formation
  in Mg3Sb2 based Zintl compounds.pdf