Skip to content
DraconiticResearch
Search Sources API
201,818 studies31 sourcesUpdated 48 min ago
Peer-reviewedCC BYInorganic chemistry

Compressibility and High-Pressure Structure of CaMg2Bi2 and YbMg2Bi2.

  • Mario Calderón-Cueva1
  • Allison Pease2
  • Cheng Peng3
  • Wanyue Peng1
  • Megan Rylko1
  • Weiwei Xie3
  • Susannah M Dorfman2
  • Alexandra Zevalkink1
  1. 1Chemical Engineering and Materials Science Department, Michigan State University, East Lansing, Michigan48824, United States.
  2. 2Department of Earth and Environmental Sciences, Michigan State University, East Lansing, Michigan48824, United States.
  3. 3Chemistry Department, Michigan State University, East Lansing, Michigan48824, United States.
Read full textPDFDOICite

Abstract

Compounds with the formula AM2X2 in the CaAl2Si2 structure type have garnered increasing interest across various solid-state research domains, such as quantum topological and thermoelectric materials. Prior studies have identified high-pressure phase transitions in several compounds, including Mg3Sb2, Mg3Bi2, CaMn2Bi2, and SrAl2Si2. In this study, we investigate the structural behavior of CaMg2Bi2 and YbMg2Bi2 under varying pressure conditions. We synthesized crystals using the molten metal flux method and examined them through single-crystal synchrotron X-ray diffraction, employing diamond anvil cells to exert pressures up to 20 GPa. Our analysis reveals insights into the anisotropic compressibility of these materials, highlighting the more compressible and flexible octahedral A-Bi bonds as the primary contributors to this anisotropy. Moreover, we observed a phase transition in both CaMg2Bi2 and YbMg2Bi2 at pressures above 9.6 and 8.7 GPa, respectively. The newly identified high-pressure phase exhibits a distortion of the original CaAl2Si2 structure with space group C2/m. This high-pressure structure is distinct from that of related compounds (e.g., CaMn2Bi2, MgMg2Bi2), the latter exhibiting a square pyramidal coordination for the M site. These results illustrate how pressure can reorganize bonding and coordination in AM2X2 Zintl phases, providing insight into the structural mechanisms that govern phase stability. The anisotropy in compressibility may also influence directional phonon transport, with implications for tuning lattice thermal conductivity through pressure, strain, or chemical substitution.

Versions

Related

  1. High-pressure allotropes of tellurium: Evolutionary structure prediction
    Vladimir L. Solozhenko
    ChemRxivPreprintCC BY-NC-NDFull textGeophysics & seismologyChemRxiv
  2. Optimization of composite cylinder compressibility for deep sea exploration
    Mael Arhant, Corentin Renaut, Corentin Humeau
    Composites Part C: Open AccessPeer-reviewedCC BYGeneral earth scienceHAL
  3. A Novel High-Pressure Tin Oxynitride Sn2N2O
    Emanuel Ionescu, Tomoo Katsura, Ralf Riedel +9
    Chemistry - A European JournalPeer-reviewedCC BYFull text14 citedGeophysics & seismologyHAL
  4. Pressure-Induced Irreversible Disorder in β′-Mn3(PO4)2: A High-Pressure X-ray Diffraction and Density-Functional Theory Study
    Ana Melissa P. Brito, Neha Bura, Pablo Botella +7
    arXivPreprintarXiv licenceFull textPhysical chemistryGeophysics & seismologyarXiv
  5. How high-pressure ices on large ocean worlds can support habitability: The compatibility of amino acids into ice VI and VII
    Jihua Hao, Can Liu, Feixiang Liu +7
    Science AdvancesPeer-reviewedCC BYFull textGeophysics & seismologyCrossrefEurope PMC

Cite

BibTeXRIS
BibTeX
@article{calderoncueva2026compressibility,
  title = {{Compressibility and High-Pressure Structure of CaMg2Bi2 and YbMg2Bi2.}},
  author = {Mario Calderón-Cueva and Allison Pease and Cheng Peng and Wanyue Peng and Megan Rylko and Weiwei Xie and Susannah M Dorfman and Alexandra Zevalkink},
  journal = {Inorganic chemistry},
  year = {2026},
  month = oct,
  doi = {10.1021/acs.inorgchem.6c02769},
  url = {https://europepmc.org/article/MED/42916314},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Compressibility and High-Pressure Structure of CaMg2Bi2 and YbMg2Bi2.
AU  - Mario Calderón-Cueva
AU  - Allison Pease
AU  - Cheng Peng
AU  - Wanyue Peng
AU  - Megan Rylko
AU  - Weiwei Xie
AU  - Susannah M Dorfman
AU  - Alexandra Zevalkink
PY  - 2026
DA  - 2026/10/01
JO  - Inorganic chemistry
DO  - 10.1021/acs.inorgchem.6c02769
UR  - https://europepmc.org/article/MED/42916314
AB  - Compounds with the formula AM2X2 in the CaAl2Si2 structure type have garnered increasing interest across various solid-state research domains, such as quantum topological and thermoelectric materials. Prior studies have identified high-pressure phase transitions in several compounds, including Mg3Sb2, Mg3Bi2, CaMn2Bi2, and SrAl2Si2. In this study, we investigate the structural behavior of CaMg2Bi2 and YbMg2Bi2 under varying pressure conditions. We synthesized crystals using the molten metal flux method and examined them through single-crystal synchrotron X-ray diffraction, employing diamond anvil cells to exert pressures up to 20 GPa. Our analysis reveals insights into the anisotropic compressibility of these materials, highlighting the more compressible and flexible octahedral A-Bi bonds as the primary contributors to this anisotropy. Moreover, we observed a phase transition in both CaMg2Bi2 and YbMg2Bi2 at pressures above 9.6 and 8.7 GPa, respectively. The newly identified high-pressure phase exhibits a distortion of the original CaAl2Si2 structure with space group C2/m. This high-pressure structure is distinct from that of related compounds (e.g., CaMn2Bi2, MgMg2Bi2), the latter exhibiting a square pyramidal coordination for the M site. These results illustrate how pressure can reorganize bonding and coordination in AM2X2 Zintl phases, providing insight into the structural mechanisms that govern phase stability. The anisotropy in compressibility may also influence directional phonon transport, with implications for tuning lattice thermal conductivity through pressure, strain, or chemical substitution.
SN  - 0020-1669
SN  - 1520-510X
ER  -