Ba 3Fe1.56Ir1.44O9: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering

Ferreira, Timothy; Carone, Darren; Huon, Amanda; Herklotz, Andreas; Stoian, Sebastian A.; Heald, Steve M.; Morrison, Gregory; Smith, Mark D.; Loye, Hans-Conrad zur

doi:10.1021/acs.inorgchem.8b01015

Title: Ba ₃Fe_1.56Ir_1.44O₉: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering

Abstract

The crystal chemistry and magnetic properties for two triple perovskites, Ba₃Fe_1.56Ir_1.44O₉ and Ba₃NiIr₂O₉, grown as large, highly faceted single crystals from a molten strontium carbonate flux, are reported. Unlike the idealized A₃MM₂'O₉ hexagonal symmetry characteristic of most triple perovskites, including Ba₃NiIr₂O₉, Ba₃Fe_1.56Ir_1.44O₉ possesses significant site-disorder, resulting in a noncentrosymmetric polar structure with trigonal symmetry. The valence of iron and iridium in the heavily distorted Fe/Ir sites was determined to be Fe(III) and Ir(V) by X-ray absorption near edge spectroscopy (XANES). Density functional theory calculations were conducted to understand the effect of the trigonal distortion on the local Fe(III)O₆ electronic structure, and the spin state of iron was determined to be S = 5/2 by Mossbauer spectroscopy. Conductivity measurements indicate thermally activated semiconducting behavior in the trigonal perovskite. Magnetic properties were measured and near room temperature magnetic ordering (T_N = 270 K) was observed for Ba₃Fe_1.56Ir_1.44O₉.

Authors:

Ferreira, Timothy ^[1]; Carone, Darren ^[1]; Huon, Amanda ^[2]; Herklotz, Andreas ^[3]; Stoian, Sebastian A. ^[4];

^[5];

^[1]; Smith, Mark D. ^[1];

^[1]

Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemistry and Biochemistry
Drexel Univ., Philadelphia, PA (United States). Dept. of Materials Science and Engineering
Martin-Luther Univ. Halle-Wittenberg, Halle (Germany). Inst. for Physics
Univ. of Idaho, Moscow, ID (United States). Dept. of Chemistry
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS), X-ray Science Division

Publication Date:: Tue May 29 00:00:00 EDT 2018

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1460953

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Inorganic Chemistry

Additional Journal Information:: Journal Volume: 57; Journal Issue: 12; Journal ID: ISSN 0020-1669

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats


                    Ferreira, Timothy, Carone, Darren, Huon, Amanda, Herklotz, Andreas, Stoian, Sebastian A., Heald, Steve M., Morrison, Gregory, Smith, Mark D., and Loye, Hans-Conrad zur. Ba 3Fe1.56Ir1.44O9: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering.  United States: N. p., 2018. 
Web.  doi:10.1021/acs.inorgchem.8b01015.

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                    Ferreira, Timothy, Carone, Darren, Huon, Amanda, Herklotz, Andreas, Stoian, Sebastian A., Heald, Steve M., Morrison, Gregory, Smith, Mark D., & Loye, Hans-Conrad zur. Ba 3Fe1.56Ir1.44O9: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering.  United States.  https://doi.org/10.1021/acs.inorgchem.8b01015

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                    Ferreira, Timothy, Carone, Darren, Huon, Amanda, Herklotz, Andreas, Stoian, Sebastian A., Heald, Steve M., Morrison, Gregory, Smith, Mark D., and Loye, Hans-Conrad zur. Tue .  
"Ba 3Fe1.56Ir1.44O9: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering".  United States.  https://doi.org/10.1021/acs.inorgchem.8b01015.  https://www.osti.gov/servlets/purl/1460953.

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@article{osti_1460953,

  title        = {Ba 3Fe1.56Ir1.44O9: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering},

  author       = {Ferreira, Timothy and Carone, Darren and Huon, Amanda and Herklotz, Andreas and Stoian, Sebastian A. and Heald, Steve M. and Morrison, Gregory and Smith, Mark D. and Loye, Hans-Conrad zur},

  abstractNote = {The crystal chemistry and magnetic properties for two triple perovskites, Ba3Fe1.56Ir1.44O9 and Ba3NiIr2O9, grown as large, highly faceted single crystals from a molten strontium carbonate flux, are reported. Unlike the idealized A3MM2'O9 hexagonal symmetry characteristic of most triple perovskites, including Ba3NiIr2O9, Ba3Fe1.56Ir1.44O9 possesses significant site-disorder, resulting in a noncentrosymmetric polar structure with trigonal symmetry. The valence of iron and iridium in the heavily distorted Fe/Ir sites was determined to be Fe(III) and Ir(V) by X-ray absorption near edge spectroscopy (XANES). Density functional theory calculations were conducted to understand the effect of the trigonal distortion on the local Fe(III)O6 electronic structure, and the spin state of iron was determined to be S = 5/2 by Mossbauer spectroscopy. Conductivity measurements indicate thermally activated semiconducting behavior in the trigonal perovskite. Magnetic properties were measured and near room temperature magnetic ordering (TN = 270 K) was observed for Ba3Fe1.56Ir1.44O9.},

  doi          = {10.1021/acs.inorgchem.8b01015},

  journal      = {Inorganic Chemistry},

  number       = 12,

  volume       = 57,

  place        = {United States},

  year         = {Tue May 29 00:00:00 EDT 2018},

  month        = {Tue May 29 00:00:00 EDT 2018}

}

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Figures / Tables:

Table 1: Crystallographic Data for Ba₃Fe_1.56Ir_1.44O₉ and Ba₃NiIr₂O₉

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Works referencing / citing this record:

Intrinsic Triple Order in A-site Columnar-Ordered Quadruple Perovskites: Proof of Concept
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Compounds of composition RBa{sub 2}Fe{sub 3}O{sub 8+w} (R = La, Nd, Sm, Gd, Dy, Er, Yb, Lu, and Y) with variable oxygen content have been synthesized using the liquid mixing technique and have been analyzed by powder X-ray and neutron diffraction methods. A triple perovskite-type structure with ordered Ba and R cations and having the symmetry of space group P4/mmm was obtained only for R = Y, Dy, and Er, whereas the larger R atoms gave the atomic arrangement of disordered, defective perovskites with average symmetry Pm{bar 3}m. No perovskite-type phases were obtained when Yb and Lu were tried. Themore »« less
https://doi.org/10.1006/jssc.1997.7636
Pb[sub 1-x]Sr[sub 4]Fe[sub 2]O[sub 9-[delta]]: A layered iron oxide intergrowth of 1201- and 0201-type structures

Journal Article Lucas, S ; Groult, D ; Nguyen, N ; ... - Journal of Solid State Chemistry; (United States)

A new layered iron oxide, Pb[sub 1-x]Sr[sub 4]Fe[sub 2]O[sub 9-[delta]], has been isolated for 0[le] x [le]0.2. Its structural model, which corresponds to a regular intergrowth of single [SrFeO[sub 3-[delta]]][sub x] perovskite layers with single [SrO][sub x] and double [(SrO)(Pb[sub 1-x ]O)][sub x] rock salt layers, has been established by high resolution electron microscopy (HREM) and powder XRD. The existence of numerous defects-local variation of the nature of the cations, modulations of the atomic layers, and intergrowth defects interpreted as [Sr[sub 3]Fe[sub 2]O[sub 7-[delta]]][sub x], and [Sr[sub 4]Fe[sub 3]O[sub 10-[delta]]] layers-has been observed by HREM. The existence for FE(III) ofmore »« less
https://doi.org/10.1006/jssc.1993.1004
Structural characterization, thermal, spectroscopic and magnetic studies of the (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Mn{sub 1.50}{sup II}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] and (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Co{sub 1.50}{sup II}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] compounds

Journal Article Bazan, B ; Mesa, J.L. ; Pena, A ; ... - Materials Research Bulletin

The (C{sub 3}H{sub 12}N{sub 2}){sub 0.94}[Mn{sub 1.50}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] and (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Co{sub 1.50}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] compounds 1 and 2 have been synthesized using mild hydrothermal conditions. These phases are isostructural with (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Fe{sub 1.5}{sup II}Fe{sub 1.5}{sup III}(AsO{sub 4})F{sub 6}]. The compounds crystallize in the orthorhombic Imam space group. The unit cell parameters calculated by using the patterns matching routine of the FULPROOF program, starting from the cell parameters of the iron(II),(III) phase, are: a 7.727(1) A, b = 11.047(1) A, c = 13.412(1) A for 1 and a = 7.560(1)more »« less
https://doi.org/10.1016/j.materresbull.2007.05.016

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Title: Ba 3Fe1.56Ir1.44O9: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering

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The Crystal Structure of Ba3CuRu2O9 and Comparison to Ba3MRu2O9 (M=In, Co, Ni, and Fe) journal, August 1999

Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure journal, April 2002

Crystal growth of new perovskite and perovskite related iridates: Ba3LiIr2O9, Ba3NaIr2O9, and Ba3.44K1.56Ir2O10 journal, April 2004

The structural and magnetic characterization of 6H-perovskite-type oxides Ba 3 LnIr 2 O 9 (Ln = Y, lanthanides) journal, April 2004

Crystal Structures and Magnetic Properties of Mixed Iridium−Ruthenium Triple Perovskites. 1. Ba 3 MRuIrO 9 (M = Lanthanide, Y) journal, December 2005

Crystal Structures and Magnetic Properties of Mixed Iridium−Ruthenium Triple Perovskites. 2. Ba 3 MRuIrO 9 (M = Li, Na, Mg, Ni, Zn, Bi, In) journal, December 2005

Crystal structures and magnetic properties of 6H-perovskite-type oxides Ba3MIr2O9 (M=Mg, Ca, Sc, Ti, Zn, Sr, Zr, Cd and In) journal, August 2006

Low temperature structural phase transition of Ba3NaIr2O9 journal, March 2009

Structural and physical properties of 1:2 B-site-ordered perovskite Ba3CaIr2O9 journal, February 2009

Compositional and Structural Versatility in an Unusual Family of anti- Perovskite Fluorides: [Cu(H 2 O) 4 ] 3 [( M F 6 )( M ′F 6 )] journal, July 2016

Spin wave excitations in the tetragonal double perovskite Sr 2 CuWO 6 journal, August 2016

Structural and Ferromagnetic Properties of Epitaxial SrRuO 3 Thin Films Obtained by Polymer-Assisted Deposition journal, June 2007

Origin of ferroelectricity in perovskite oxides journal, July 1992

Superconductivity in rare earth cuprate perovskites journal, November 1987

The metal - insulator transition in perovskites journal, December 1996

Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba 3 BiIr 2 O 9 journal, February 2012

Giant magnetoelastic effects in BaTiO 3 -based extrinsic multiferroic hybrids journal, October 2012

�ber Ba3FeIr2O9?x journal, November 1982

Zur Kristallchemie von Mn3ZnNb2O9 und MnZn2Nb2O8 journal, September 1988

The crystal and magnetic structures of Ba3NiRu2O9, Ba3CoRu2O9, and Ba3ZnRu2O9 journal, November 1990

Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition journal, November 2002

Crystal Growth of Novel Osmium-Containing Triple Perovskites journal, February 2003

Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites BaIrxFe 1−x O 3−δ journal, January 2003

K2NaOsO5.5 and K3NaOs2O9: The first osmium perovskites containing alkali cations at the “A” site journal, July 2012

Structural and Magnetic Properties of the New La2SrCo2FeO9 Triple Perovskite journal, February 2012

Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites journal, February 2014

Neutron powder diffraction study of Ba3ZnRu2-xIrxO9 (x = 0, 1, 2) with 6H-type perovskite structure journal, December 2015

Structural properties, electric response and magnetic behaviour of La 2 SrFe 2 CoO 9 triple complex perovskite journal, February 2016

Gapless quantum spin liquid ground state in the spin-1 antiferromagnet 6HB- Ba 3 NiSb 2 O 9 journal, June 2016

Room temperature ferromagnetism in triple perovskite Sr3CrFeMoO9 journal, October 2013

Crystal Growth and Structure Determination of Barium Rhodates: Stepping Stones toward 2H−BaRhO 3 journal, January 2004

The crystal growth and characterization of the lanthanide-containing double perovskites Ln2NaIrO6 (Ln=La, Pr, Nd) journal, May 2004

Synthesis, Structure, and Magnetic Properties of Sr2NiOsO6 and Ca2NiOsO6: Two New Osmium-Containing Double Perovskites journal, November 2005

The crystal growth and magnetic properties of Ln2LiIrO6 (Ln=La, Pr, Nd, Sm, Eu) journal, January 2005

Synthesis and structural characterization of two new hexagonal osmates: Ba2Fe0.92Os1.08O6 and Ba2Co0.77Os1.23O6 journal, May 2007

Materials discovery by crystal growth: Lanthanide metal containing oxides of the platinum group metals (Ru, Os, Ir, Rh, Pd, Pt) from molten alkali metal hydroxides journal, July 2009

Crystal growth of incommensurate members of 2H-hexagonal perovskite related oxides: Ba4M Pt3−O9 (M=Co, Ni, Cu, Zn, Mg, Pt) journal, April 2016

Design and Crystal Growth of Magnetic Double Perovskite Iridates: Ln 2 MIrO 6 ( Ln = La, Pr, Nd, Sm-Gd; M = Mg, Ni) journal, April 2016

Metal-insulator transition in Ba 3 Fe 1 − x Ru 2 + x O 9 : Interplay between site disorder, chemical percolation, and electronic structure journal, November 2016

Persistent low-temperature spin dynamics in the mixed-valence iridate Ba 3 InIr 2 O 9 journal, November 2017

Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba 4 Ni 2 Ir 2 O 12 Containing Ir 2 NiO 12 Mixed-Metal-Cation Trimers journal, March 2018

Zur Kristallchemie der Oxoiridate journal, May 2005

Spin-Liquid State in the S = 1 / 2 Hyperkagome Antiferromagnet Na 4 Ir 3 O 8 journal, September 2007

Novel J eff = 1 / 2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr 2 IrO 4 journal, August 2008

Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4 journal, March 2009

Mott physics and band topology in materials with strong spin–orbit interaction journal, March 2010

Electronic structure, local magnetism, and spin-orbit effects of Ir(IV)-, Ir(V)-, and Ir(VI)-based compounds journal, June 2015

A short history of SHELX journal, December 2007

ShelXle : a Qt graphical user interface for SHELXL journal, November 2011

Computer derivation of the symmetry elements implied in a structure description journal, June 1987

Chemistry with ADF journal, January 2001

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal, April 2008

Simple correction for the sample shape and radial offset effects on SQUID magnetometers: Magnetic measurements on Ln2O3 (Ln=Gd, Dy, Er) standards journal, January 2015

On the use of the term `absolute' in crystallography journal, March 1989

Noncentrosymmetric Oxides journal, October 1998

Multiferroic and magnetoelectric materials journal, August 2006

Multiferroics: Different ways to combine magnetism and ferroelectricity journal, November 2006

Nd 2 K 2 IrO 7 and Sm 2 K 2 IrO 7 : Iridium(VI) Oxides Prepared under Ambient Pressure journal, November 2008

Reentrant spin glass behavior and magnetodielectric coupling of an Ir-based double perovskite compound, La 2 CoIrO 6 journal, January 2017

Room-Temperature Polar Ferromagnet ScFeO 3 Transformed from a High-Pressure Orthorhombic Perovskite Phase journal, October 2014

Room Temperature Magnetically Ordered Polar Corundum GaFeO 3 Displaying Magnetoelectric Coupling journal, January 2017

Intrinsic Triple Order in A-site Columnar-Ordered Quadruple Perovskites: Proof of Concept journal, July 2018

Title: Ba ₃Fe_1.56Ir_1.44O₉: A Polar Semiconducting Triple Perovskite with Near Room Temperature Magnetic Ordering

The Crystal Structure of Ba3CuRu2O9 and Comparison to Ba3MRu2O9 (M=In, Co, Ni, and Fe)
journal, August 1999

Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure
journal, April 2002

Crystal growth of new perovskite and perovskite related iridates: Ba3LiIr2O9, Ba3NaIr2O9, and Ba3.44K1.56Ir2O10
journal, April 2004

The structural and magnetic characterization of 6H-perovskite-type oxides Ba ₃ LnIr ₂ O ₉ (Ln = Y, lanthanides)
journal, April 2004

Crystal Structures and Magnetic Properties of Mixed Iridium−Ruthenium Triple Perovskites. 1. Ba ₃ MRuIrO ₉ (M = Lanthanide, Y)
journal, December 2005

Crystal Structures and Magnetic Properties of Mixed Iridium−Ruthenium Triple Perovskites. 2. Ba ₃ MRuIrO ₉ (M = Li, Na, Mg, Ni, Zn, Bi, In)
journal, December 2005

Crystal structures and magnetic properties of 6H-perovskite-type oxides Ba3MIr2O9 (M=Mg, Ca, Sc, Ti, Zn, Sr, Zr, Cd and In)
journal, August 2006

Low temperature structural phase transition of Ba3NaIr2O9
journal, March 2009

Structural and physical properties of 1:2 B-site-ordered perovskite Ba3CaIr2O9
journal, February 2009

Compositional and Structural Versatility in an Unusual Family of anti- Perovskite Fluorides: [Cu(H ₂ O) ₄ ] ₃ [( M F ₆ )( M ′F ₆ )]
journal, July 2016

Spin wave excitations in the tetragonal double perovskite ${Sr}_{2} {CuWO}_{6}$
journal, August 2016

Structural and Ferromagnetic Properties of Epitaxial SrRuO ₃ Thin Films Obtained by Polymer-Assisted Deposition
journal, June 2007

Origin of ferroelectricity in perovskite oxides
journal, July 1992

Superconductivity in rare earth cuprate perovskites
journal, November 1987

The metal - insulator transition in perovskites
journal, December 1996

Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba ₃ BiIr ₂ O ₉
journal, February 2012

Giant magnetoelastic effects in BaTiO $_{3}$ -based extrinsic multiferroic hybrids
journal, October 2012

�ber Ba3FeIr2O9?x
journal, November 1982

Zur Kristallchemie von Mn3ZnNb2O9 und MnZn2Nb2O8
journal, September 1988

The crystal and magnetic structures of Ba3NiRu2O9, Ba3CoRu2O9, and Ba3ZnRu2O9
journal, November 1990

Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition
journal, November 2002

Crystal Growth of Novel Osmium-Containing Triple Perovskites
journal, February 2003

Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites BaIrxFe _1−x O _3−δ
journal, January 2003

K2NaOsO5.5 and K3NaOs2O9: The first osmium perovskites containing alkali cations at the “A” site
journal, July 2012

Structural and Magnetic Properties of the New La2SrCo2FeO9 Triple Perovskite
journal, February 2012

Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites
journal, February 2014

Neutron powder diffraction study of Ba3ZnRu2-xIrxO9 (x = 0, 1, 2) with 6H-type perovskite structure
journal, December 2015

Structural properties, electric response and magnetic behaviour of La ₂ SrFe ₂ CoO ₉ triple complex perovskite
journal, February 2016

Gapless quantum spin liquid ground state in the spin-1 antiferromagnet 6HB- ${Ba}_{3} {NiSb}_{2} O_{9}$
journal, June 2016

Room temperature ferromagnetism in triple perovskite Sr3CrFeMoO9
journal, October 2013

Crystal Growth and Structure Determination of Barium Rhodates: Stepping Stones toward 2H−BaRhO ₃
journal, January 2004

The crystal growth and characterization of the lanthanide-containing double perovskites Ln2NaIrO6 (Ln=La, Pr, Nd)
journal, May 2004

Synthesis, Structure, and Magnetic Properties of Sr₂NiOsO₆ and Ca₂NiOsO₆: Two New Osmium-Containing Double Perovskites
journal, November 2005

The crystal growth and magnetic properties of Ln2LiIrO6 (Ln=La, Pr, Nd, Sm, Eu)
journal, January 2005

Synthesis and structural characterization of two new hexagonal osmates: Ba2Fe0.92Os1.08O6 and Ba2Co0.77Os1.23O6
journal, May 2007

Materials discovery by crystal growth: Lanthanide metal containing oxides of the platinum group metals (Ru, Os, Ir, Rh, Pd, Pt) from molten alkali metal hydroxides
journal, July 2009

Crystal growth of incommensurate members of 2H-hexagonal perovskite related oxides: Ba4M Pt3−O9 (M=Co, Ni, Cu, Zn, Mg, Pt)
journal, April 2016

Design and Crystal Growth of Magnetic Double Perovskite Iridates: Ln ₂ MIrO ₆ ( Ln = La, Pr, Nd, Sm-Gd; M = Mg, Ni)
journal, April 2016

Metal-insulator transition in ${Ba}_{3} {Fe}_{1 - x} {Ru}_{2 + x} O_{9}$ : Interplay between site disorder, chemical percolation, and electronic structure
journal, November 2016

Persistent low-temperature spin dynamics in the mixed-valence iridate ${Ba}_{3} {InIr}_{2} O_{9}$
journal, November 2017

Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba ₄ Ni ₂ Ir ₂ O ₁₂ Containing Ir ₂ NiO ₁₂ Mixed-Metal-Cation Trimers
journal, March 2018

Zur Kristallchemie der Oxoiridate
journal, May 2005

Spin-Liquid State in the $S = 1 / 2$ Hyperkagome Antiferromagnet ${Na}_{4} {Ir}_{3} O_{8}$
journal, September 2007

Novel $J_{eff} = 1 / 2$ Mott State Induced by Relativistic Spin-Orbit Coupling in ${Sr}_{2} {IrO}_{4}$
journal, August 2008

Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4
journal, March 2009

Mott physics and band topology in materials with strong spin–orbit interaction
journal, March 2010

Electronic structure, local magnetism, and spin-orbit effects of Ir(IV)-, Ir(V)-, and Ir(VI)-based compounds
journal, June 2015

A short history of SHELX
journal, December 2007

ShelXle : a Qt graphical user interface for SHELXL
journal, November 2011

Computer derivation of the symmetry elements implied in a structure description
journal, June 1987

Chemistry with ADF
journal, January 2001

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

Simple correction for the sample shape and radial offset effects on SQUID magnetometers: Magnetic measurements on Ln2O3 (Ln=Gd, Dy, Er) standards
journal, January 2015

On the use of the term `absolute' in crystallography
journal, March 1989

Noncentrosymmetric Oxides
journal, October 1998

Multiferroic and magnetoelectric materials
journal, August 2006

Multiferroics: Different ways to combine magnetism and ferroelectricity
journal, November 2006

Nd ₂ K ₂ IrO ₇ and Sm ₂ K ₂ IrO ₇ : Iridium(VI) Oxides Prepared under Ambient Pressure
journal, November 2008

Reentrant spin glass behavior and magnetodielectric coupling of an Ir-based double perovskite compound, La ₂ CoIrO ₆
journal, January 2017

Room-Temperature Polar Ferromagnet ScFeO ₃ Transformed from a High-Pressure Orthorhombic Perovskite Phase
journal, October 2014

Room Temperature Magnetically Ordered Polar Corundum GaFeO ₃ Displaying Magnetoelectric Coupling
journal, January 2017

Intrinsic Triple Order in A-site Columnar-Ordered Quadruple Perovskites: Proof of Concept
journal, July 2018