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

Abstract

In this paper, the crystal chemistry and magnetic properties of two hexagonal nickel(IV)-containing perovskites, Ba4Ni1.94Ir2.06O12 and BaNiO3, are reported. The 12R perovskite, Ba4Ni1.94Ir2.06O12, 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).

Authors:
 [1];  [2];  [1]; ORCiD logo [1]
  1. Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemistry and Biochemistry
  2. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division, Advanced Photon Source (APS)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of South Carolina, Columbia, SC (United States)
Sponsoring Org.:
USDOE Office of Science (SC); National Science Foundation (NSF)
OSTI Identifier:
1433915
Grant/Contract Number:  
AC02-06CH11357; DMR-1301757; OIA-1655740
Resource Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 57; Journal Issue: 6; 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

Citation Formats

Ferreira, Timothy, Heald, Steve M., Smith, Mark. D., and zur Loye, Hans-Conrad. Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba4Ni2Ir2O12 Containing Ir2NiO12 Mixed-Metal-Cation Trimers. United States: N. p., 2018. Web. doi:10.1021/acs.inorgchem.8b00249.
Ferreira, Timothy, Heald, Steve M., Smith, Mark. D., & zur Loye, Hans-Conrad. Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba4Ni2Ir2O12 Containing Ir2NiO12 Mixed-Metal-Cation Trimers. United States. doi:10.1021/acs.inorgchem.8b00249.
Ferreira, Timothy, Heald, Steve M., Smith, Mark. D., and zur Loye, Hans-Conrad. Fri . "Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba4Ni2Ir2O12 Containing Ir2NiO12 Mixed-Metal-Cation Trimers". United States. doi:10.1021/acs.inorgchem.8b00249. https://www.osti.gov/servlets/purl/1433915.
@article{osti_1433915,
title = {Unusual Coexistence of Nickel(II) and Nickel(IV) in the Quadruple Perovskite Ba4Ni2Ir2O12 Containing Ir2NiO12 Mixed-Metal-Cation Trimers},
author = {Ferreira, Timothy and Heald, Steve M. and Smith, Mark. D. and zur Loye, Hans-Conrad},
abstractNote = {In this paper, the crystal chemistry and magnetic properties of two hexagonal nickel(IV)-containing perovskites, Ba4Ni1.94Ir2.06O12 and BaNiO3, are reported. The 12R perovskite, Ba4Ni1.94Ir2.06O12, 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).},
doi = {10.1021/acs.inorgchem.8b00249},
journal = {Inorganic Chemistry},
number = 6,
volume = 57,
place = {United States},
year = {2018},
month = {3}
}

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Figures / Tables:

Figure 1 Figure 1: (Left) Polyhedral representation of Ba4Ni1.94Ir2.06O12 with Ni(II) shown in light green, Ni(IV) shown in dark green, Ir(V) shown in grey, Ba shown in blue and O shown in red. (Right) Local coordination environment of Ni(IV) octahedra, shown in dark green, face shared to two distorted Ir(V) octahedra, shownmore » in grey.« less

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Works referencing / citing this record:

CCDC 1544900: Experimental Crystal Structure Determination: JESCES : Non-CSD Structure
dataset, April 2017


CCDC 1544901: Experimental Crystal Structure Determination: JESCIW : Non-CSD Structure
dataset, April 2017


    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.