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PreprintarXiv licencearXiv

Na2IrIVCl6: The Missing Member of the Perfectly Cubic Vacancy Ordered A2IrCl6 Family, Another Potential Jeff = 1/2 Ground State Candidate

  • Siddhartha Sankar Soren
  • Aditya Patra
  • Rounak Das
  • Ritwik Das
  • Tanmay Chanda
  • Jens Buck
  • Indra Dasgupta
  • Sugata Ray
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Abstract

Vacancy ordered double perovskites (VODPs) have been known for more than 100 years, but their exact crystal structures and magnetic ground state remained controversial till date. Anhydrous VODP iridates (A2IrX6; A = K+, (NH4)+, Cs+, Rb+, and X = F-, Cl-, Br-), having $face-centered~cubic$ (fcc) antiferromagnetic ground state, offer a chemically well-defined platform to investigate the influence of on-site Coulomb repulsion, crystal field, spin-orbit coupling, and competing Heisenberg and Kitaev interactions. Interestingly, among these, the Na-based VODP iridates seem to possess an unusual hydration dependent structural and magnetic uncertainty. As a result, a cubic Na2IrCl6 system having fcc antiferromagnetism could not be stabilized ever. Here, for the first time, we report the synthesis and comprehensive characterization of anhydrous Na2IrCl6 single crystals having fcc structure with antiferromagnetic transition temperature of 1.91 K. Thermogravimetric analysis establishes the absence of lattice water and also demonstrates thermal stability of the crystals up to 453 K. The cubic phase reported here contrasts with previously described 'anhydrous' monoclinic Na2IrCl6 and highlights the strong structural and physical property relationship in Na-based VODP iridates. This new material offers an exciting playing ground for exploring another potential perfect Jeff = 1/2 octahedra and the consequent strong Kitaev interaction within the nearest-neighbor (nn) pairs of Ir ions.

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Cite

BibTeXRIS
BibTeX
@misc{soren2026na2irivcl6,
  title = {{Na$_2$Ir$^\textIV$Cl$_6$: The Missing Member of the Perfectly Cubic Vacancy Ordered $A_2$IrCl$_6$ Family, Another Potential $J_eff$ = $\frac12$ Ground State Candidate}},
  author = {Siddhartha Sankar Soren and Aditya Patra and Rounak Das and Ritwik Das and Tanmay Chanda and Jens Buck and Indra Dasgupta and Sugata Ray},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.01371},
  eprint = {2610.01371},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.01371},
}
RIS
TY  - UNPB
TI  - Na_2Ir^IVCl_6: The Missing Member of the Perfectly Cubic Vacancy Ordered A_2IrCl_6 Family, Another Potential J_eff = 1/2 Ground State Candidate
AU  - Siddhartha Sankar Soren
AU  - Aditya Patra
AU  - Rounak Das
AU  - Ritwik Das
AU  - Tanmay Chanda
AU  - Jens Buck
AU  - Indra Dasgupta
AU  - Sugata Ray
PY  - 2026
DA  - 2026/10/01
PB  - arXiv
DO  - 10.48550/arxiv.2610.01371
UR  - https://arxiv.org/abs/2610.01371
AB  - Vacancy ordered double perovskites (VODPs) have been known for more than 100 years, but their exact crystal structures and magnetic ground state remained controversial till date. Anhydrous VODP iridates (A_2IrX_6; A = K^+, (NH_4)^+, Cs^+, Rb^+, and X = F^-, Cl^-, Br^-), having $face-centered~cubic$ (fcc) antiferromagnetic ground state, offer a chemically well-defined platform to investigate the influence of on-site Coulomb repulsion, crystal field, spin-orbit coupling, and competing Heisenberg and Kitaev interactions. Interestingly, among these, the Na-based VODP iridates seem to possess an unusual hydration dependent structural and magnetic uncertainty. As a result, a cubic Na_2IrCl_6 system having fcc antiferromagnetism could not be stabilized ever. Here, for the first time, we report the synthesis and comprehensive characterization of anhydrous Na_2IrCl_6 single crystals having fcc structure with antiferromagnetic transition temperature of 1.91 K. Thermogravimetric analysis establishes the absence of lattice water and also demonstrates thermal stability of the crystals up to 453 K. The cubic phase reported here contrasts with previously described 'anhydrous' monoclinic Na_2IrCl_6 and highlights the strong structural and physical property relationship in Na-based VODP iridates. This new material offers an exciting playing ground for exploring another potential perfect J_eff = 1/2 octahedra and the consequent strong Kitaev interaction within the nearest-neighbor (nn) pairs of Ir ions.
ER  -