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

Abstract

In this paper, the crystal chemistry and magnetic properties of two hexagonal nickel(IV)-containing perovskites, Ba 4Ni 1.94Ir 2.06O 12 and BaNiO 3, are reported. The 12R perovskite, Ba 4Ni 1.94Ir 2.06O 12, possesses an unexpected coexistence of nickel(II) and nickel(IV). This quadruple perovskite structure contains Ir 2NiO 12 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.