Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba4Ni2Ir2O12 Containing Ir2NiO12 Mixed-Metal-Cation Trimers

Ferreira, Timothy; Heald, Steve M.; Smith, Mark. D.; zur Loye, Hans-Conrad

doi:10.1021/acs.inorgchem.8b00249

Title: Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba₄Ni₂Ir₂O₁₂ Containing Ir₂NiO₁₂ Mixed-Metal-Cation Trimers

Journal Article · 02 March 2018 · Inorganic Chemistry

DOI: https://doi.org/10.1021/acs.inorgchem.8b00249 · OSTI ID:1433915

Ferreira, Timothy ^[1]; Heald, Steve M. ^[2]; Smith, Mark. D. ^[1];

^[1]

Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemistry and Biochemistry
Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division, Advanced Photon Source (APS)

In this paper, the crystal chemistry and magnetic properties of two hexagonal nickel(IV)-containing perovskites, Ba₄Ni_1.94Ir_2.06O₁₂ and BaNiO₃, are reported. The 12R perovskite, Ba₄Ni_1.94Ir_2.06O₁₂, possesses an unexpected coexistence of nickel(II) and nickel(IV). This quadruple perovskite structure contains Ir₂NiO₁₂ mixed-metal-cation units in which direct metal–metal bonding between nickel(IV) and iridium(V) is inferred. Finally, X-ray absorption near-edge spectroscopy and X-ray photoelectron spectroscopy measurements were conducted to confirm the simultaneous presence of nickel(II) and nickel(IV).

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of South Carolina, Columbia, SC (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF) (United States)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1433915

Journal Information:: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 6 Vol. 57; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (28)

Nd ₂ K ₂ IrO ₇ and Sm ₂ K ₂ IrO ₇ : Iridium(VI) Oxides Prepared under Ambient Pressure Mugavero, Samuel J.; Smith, Mark D.; Yoon, Won-Sub Angewandte Chemie International Edition, Vol. 48, Issue 1 https://doi.org/10.1002/anie.200804045	journal	November 2008
Ferromagnetism Induced by Substitution of the Iron(IV) Ion by an Unusual High-Valence Nickel(IV) Ion in Antiferromagnetic SrFeO ₃ Seki, Hayato; Hosaka, Yoshiteru; Saito, Takashi Angewandte Chemie International Edition, Vol. 55, Issue 4 https://doi.org/10.1002/anie.201509195	journal	December 2015
The magnetic properties of iridium in mixed-metal oxides Powell, A. V.; Gore, J. G.; Battle, P. D. Journal of Alloys and Compounds, Vol. 201, Issue 1-2 https://doi.org/10.1016/0925-8388(93)90864-J	journal	November 1993
Flux growth and characterization of Sr2NiWO6 single crystals Blum, C. G. F.; Holcombe, A.; Gellesch, M. Journal of Crystal Growth, Vol. 421 https://doi.org/10.1016/j.jcrysgro.2015.04.004	journal	July 2015
The crystal growth and magnetic properties of Ln2LiIrO6 (Ln=La, Pr, Nd, Sm, Eu) Mugavero, Samuel J.; Smith, Mark D.; zur Loye, Hans-Conrad Journal of Solid State Chemistry, Vol. 178, Issue 1 https://doi.org/10.1016/j.jssc.2004.10.033	journal	January 2005
La2.50K1.50IrO7: An example of an member of the [AnBn−1O3n][] family of perovskite-related oxides Mugavero, Samuel J.; Smith, Mark D.; zur Loye, Hans-Conrad Journal of Solid State Chemistry, Vol. 178, Issue 10 https://doi.org/10.1016/j.jssc.2005.07.031	journal	October 2005
Crystal growth, structure and magnetic properties of the double perovskites Ln2MgIrO6 (Ln=Pr, Nd, Sm–Gd) Mugavero III, Samuel J.; Fox, Adam H.; Smith, Mark D. Journal of Solid State Chemistry, Vol. 183, Issue 2 https://doi.org/10.1016/j.jssc.2009.11.025	journal	February 2010
Magnetic and electrical properties of quadruple perovskites with 12 layer structures Ba4LnM3O12 (Ln=rare earths; M=Ru, Ir): The role of metal–metal bonding in perovskite-related oxides Shimoda, Yuki; Doi, Yoshihiro; Wakeshima, Makoto Journal of Solid State Chemistry, Vol. 183, Issue 9 https://doi.org/10.1016/j.jssc.2010.06.023	journal	September 2010
Low temperature structural phase transition of Ba3NaIr2O9 zur Loye, Hans-Conrad; Kim, Seung-Joo; Macquart, Rene Solid State Sciences, Vol. 11, Issue 3 https://doi.org/10.1016/j.solidstatesciences.2008.12.010	journal	March 2009
Design and Crystal Growth of Magnetic Double Perovskite Iridates: Ln ₂ MIrO ₆ ( Ln = La, Pr, Nd, Sm-Gd; M = Mg, Ni) Ferreira, Timothy; Morrison, Gregory; Yeon, Jeongho Crystal Growth & Design, Vol. 16, Issue 5 https://doi.org/10.1021/acs.cgd.6b00121	journal	April 2016
Structure and Properties of Ir-Containing Oxides with Large Spin–Orbit Coupling: Ba ₂ In _{2– x} Ir _x O _5+δ Flynn, Joshua; Li, Jun; Sleight, Arthur W. Inorganic Chemistry, Vol. 55, Issue 6 https://doi.org/10.1021/acs.inorgchem.5b02501	journal	March 2016
Structural Predictions in the ABO3 Phase Diagram Giaquinta, Daniel M.; zur Loye, Hans-Conrad Chemistry of Materials, Vol. 6, Issue 4 https://doi.org/10.1021/cm00040a007	journal	April 1994
Synthesis, Crystal Structures, and Magnetic Properties of New 12L-Perovskites Ba ₄ LnRu ₃ O ₁₂ (Ln = Lanthanides) Shimoda, Yuki; Doi, Yoshihiro; Hinatsu, Yukio Chemistry of Materials, Vol. 20, Issue 13 https://doi.org/10.1021/cm800708g	journal	July 2008
Synthesis, Structure, and Magnetic Properties of Sr₂NiOsO₆ and Ca₂NiOsO₆: Two New Osmium-Containing Double Perovskites Macquart, René; Kim, Seung-Joo; Gemmill, William R. Inorganic Chemistry, Vol. 44, Issue 26 https://doi.org/10.1021/ic051045+	journal	November 2005
Complex 5d Magnetism in a Novel S = 1/2 Trimer System, the 12L Hexagonal Perovskite Ba ₄ BiIr ₃ O ₁₂ Miiller, Wojciech; Dunstan, Matthew T.; Huang, Zixin Inorganic Chemistry, Vol. 52, Issue 21 https://doi.org/10.1021/ic4014619	journal	October 2013
Synthesis, Structure, and Unexpected Magnetic Properties of La ₃ Re ₂ O ₁₀ Cuthbert, Heather L.; Greedan, John E.; Vargas-Baca, Ignacio Inorganic Chemistry, Vol. 46, Issue 21 https://doi.org/10.1021/ic701011r	journal	September 2007
Crystal Structures and Characterizations of Mixed Valence 12 l -Perovskites Ba ₄ EuM ₃ O ₁₂ (M = Ru and Ir) Shimoda, Yuki; Doi, Yoshihiro; Wakeshima, Makoto Inorganic Chemistry, Vol. 48, Issue 20 https://doi.org/10.1021/ic9009652	journal	September 2009
Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition Stitzer, Katharine E.; Smith, Mark D.; Gemmill, William R. Journal of the American Chemical Society, Vol. 124, Issue 46 https://doi.org/10.1021/ja0271781	journal	November 2002
Mott physics and band topology in materials with strong spin–orbit interaction Pesin, Dmytro; Balents, Leon Nature Physics, Vol. 6, Issue 5 https://doi.org/10.1038/nphys1606	journal	March 2010
Observation of a d-wave gap in electron-doped Sr2IrO4 Kim, Y. K.; Sung, N. H.; Denlinger, J. D. Nature Physics, Vol. 12, Issue 1 https://doi.org/10.1038/nphys3503	journal	October 2015
Spin-orbit coupling in iridium-based 5 d compounds probed by x-ray absorption spectroscopy Clancy, J. P.; Chen, N.; Kim, C. Y. Physical Review B, Vol. 86, Issue 19 https://doi.org/10.1103/PhysRevB.86.195131	journal	November 2012
New material for probing spin-orbit coupling in iridates Phelan, Brendan F.; Krizan, Jason; Xie, Weiwei Physical Review B, Vol. 91, Issue 15 https://doi.org/10.1103/PhysRevB.91.155117	journal	April 2015
Electronic structure, local magnetism, and spin-orbit effects of Ir(IV)-, Ir(V)-, and Ir(VI)-based compounds Laguna-Marco, M. A.; Kayser, P.; Alonso, J. A. Physical Review B, Vol. 91, Issue 21 https://doi.org/10.1103/PhysRevB.91.214433	journal	June 2015
Pressure Tuning of the Spin-Orbit Coupled Ground State in Sr 2 IrO 4 Haskel, D.; Fabbris, G.; Zhernenkov, Mikhail Physical Review Letters, Vol. 109, Issue 2 https://doi.org/10.1103/PhysRevLett.109.027204	journal	July 2012
Tuning Magnetic Coupling in Sr 2 IrO 4 Thin Films with Epitaxial Strain Lupascu, A.; Clancy, J. P.; Gretarsson, H. Physical Review Letters, Vol. 112, Issue 14 https://doi.org/10.1103/PhysRevLett.112.147201	journal	April 2014
Spin-Liquid State in the S = 1 / 2 Hyperkagome Antiferromagnet Na 4 Ir 3 O 8 Okamoto, Yoshihiko; Nohara, Minoru; Aruga-Katori, Hiroko Physical Review Letters, Vol. 99, Issue 13 https://doi.org/10.1103/PhysRevLett.99.137207	journal	September 2007
Prediction of the crystal structures of perovskites using the software program SPuDS Lufaso, Michael W.; Woodward, Patrick M. Acta Crystallographica Section B Structural Science, Vol. 57, Issue 6 https://doi.org/10.1107/S0108768101015282	journal	November 2001
Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials Rau, Jeffrey G.; Lee, Eric Kin-Ho; Kee, Hae-Young Annual Review of Condensed Matter Physics, Vol. 7, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031115-011319	journal	March 2016

Linked Research (2)

Similar Records

Magnetic and electrical properties of quadruple perovskites with 12 layer structures Ba{sub 4}LnM{sub 3}O{sub 12} (Ln=rare earths; M=Ru, Ir): The role of metal-metal bonding in perovskite-related oxides

Journal Article · 2010 · Journal of Solid State Chemistry · OSTI ID:21483664

Shimoda, Yuki; Doi, Yoshihiro; Wakeshima, Makoto; +1 more

Synthesis and magnetic properties of 12L-perovskites Ba{sub 4}LnIr{sub 3}O{sub 12} (Ln=lanthanides)

Journal Article · 2009 · Journal of Solid State Chemistry · OSTI ID:21372360

Shimoda, Yuki; Doi, Yoshihiro; Wakeshima, Makoto; +1 more

Magnetic properties of quadruple perovskites Ba{sub 4}LnRu{sub 3}O{sub 12} (Ln=La, Nd, Sm-Gd, Dy-Lu)

Journal Article · 2010 · Journal of Solid State Chemistry · OSTI ID:21372445

Shimoda, Yuki; Doi, Yoshihiro; Wakeshima, Makoto; +1 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

CCDC 1544900: Experimental Crystal Structure Determination: JESCES : Non-CSD Structure Ferreira, Timothy; Heald, Steve; Smith, Mark https://doi.org/10.5517/ccdc.csd.cc1nvlhl The current record is supplemented by this dataset	dataset	April 2017
CCDC 1544901: Experimental Crystal Structure Determination: JESCIW : Non-CSD Structure Ferreira, Timothy; Heald, Steve M.; Smith, Mark. D. https://doi.org/10.5517/ccdc.csd.cc1nvljm The current record is supplemented by this dataset	dataset	April 2017

Title: Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba4Ni2Ir2O12 Containing Ir2NiO12 Mixed-Metal-Cation Trimers

Citation Formats

References (28)

Linked Research (2)

Similar Records

Related Subjects

Title: Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba₄Ni₂Ir₂O₁₂ Containing Ir₂NiO₁₂ Mixed-Metal-Cation Trimers