A neutron and X-ray powder diffraction study of B82 related superstructure phases in the Ni–In system

Norén, Lasse; Larsson, Ann‐Kristin; Withers, Raymond; Rundlöf, Håkan

doi:10.1016/j.jallcom.2005.10.092

Cited by 6 publications

(4 citation statements)

References 19 publications

(35 reference statements)

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“…The phase transformation is perfectly aligned with the enhancement in CO 2 conversion and methanol selectivity, which ascertains that the operando generated cubic Ni 3 In is the real active phase for CTM. From a fundamental crystallographic perspective, the structural transition of Ni 7 In 3 to Ni 3 In is complex, although earlier reports have proposed Ni deficient Ni 7 In 3 as the superstructure of Ni 3 In based on the neutron diffraction and XRD studies . We speculate that Ni 7 In 3 transformed into a perfectly ordered and kinetically stable Ni 3 In structure under the high temperature and pressure conditions.…”

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confidence: 99%

Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO₂ to Methanol

et al. 2021

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The discovery of new materials for efficient transformation of carbon dioxide (CO 2 ) into desired fuel can revolutionize large-scale renewable energy storage and mitigate environmental damage due to carbon emissions. In this work, we discovered an operando generated stable Ni−In kinetic phase that selectively converts CO 2 to methanol (CTM) at low pressure compared to the state-of-the-art materials. The catalytic nature of a well-known methanation catalyst, nickel, has been tuned with the introduction of inactive indium, which enhances the CTM process. The remarkable change in the mechanistic pathways toward methanol production has been mapped by operando diffuse reflectance infrared Fourier transform spectroscopy analysis, corroborated by first-principles calculations. The ordered arrangement and pronounced electronegativity difference between metals are attributed to the complete shift in mechanism. The approach and findings of this work provide a unique advance toward the next-generation catalyst discovery for going beyond the state-of-the-art in CO 2 reduction technologies.

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confidence: 99%

Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO₂ to Methanol

et al. 2021

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“…First, crystals of the binary compound Cu 7 In 3 are untwinned or contain two twin individuals whereas the crystals of the Sb-doped sam-135 ples, show massive pseudo-merohedral twinning according to the underlying hexagonal symmetry as known for Ni 7 In 3 . [21,22] (See Fig. 3, 5) Second, this is leading to a pseudohexagonal diffraction pattern.…”

Section: Single Crystal X-ray Diffraction Data Inspection and Treatmementioning

confidence: 99%

On squaring triangles – Structural motifs in Cu–In–Sb compounds

Müller

Lidin

2015

Journal of Solid State Chemistry

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“…On the other hand, the transition-metal-deficit NiAs-type structure leads to vacancies at the octahedral position forming T 1– x X (0 ≤ x ≤ 0.5). Depending on the occupancy of the trigonal bipyramidal interstices, the B8 phase field of (NiAs/Ni 2 In type) T 1+ x X ( P 6 3 / mmc ) may comprise a range of composition with a significant homogeneity range. − …”

Section: Introductionmentioning

confidence: 99%

“…For instance, in the binary T–Sn system (T = Mn, Co, and Ni), the phases with composition T 3 Sn 2 adopt an orthorhombically distorted superstructure ( oP 20; Pnma ) of the high-temperature NiAs/Ni 2 In-type phase ( hP 6, P 6 3 / mmc ). The crystal structure of the low-temperature phase comprises two (8 d and 4 c ) T (T = Mn, Co, and Ni) and two Sn crystallographic positions (4 c and 4 c ) and features an atomic ordering of interstitial T (T = Mn, Co, and Ni) as well as Sn sites. − …”

Section: Introductionmentioning

confidence: 99%

Ni₃InSb: Synthesis, Crystal Structure, Electronic Structure, and Magnetic Properties

et al. 2023

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The ternary phase with the composition Ni 3 InSb has been synthesized by high-temperature synthesis and structurally characterized by a combination of X-ray analysis, neutron diffraction analysis, and theoretical calculations. The structure of Ni 3 InSb crystallizes in the orthorhombic space group Pnma with lattice constants a = 7.111(3) Å, b = 5.193(3) Å, and c = 8.2113(2) Å. The crystal structure contains ∼20 atoms in its unit cell, which are distributed over four crystallographically independent positions (two Ni, one In, and one Sb). The crystal structure can be considered as a ternary substitutional variant of Ni 3 Sn 2 (Pnma, no. 62), where a trivalent In and a pentavalent Sb orderly occupy two tetravalent Sn sites of Ni 3 Sn 2 . This site decoration pattern of two neighboring elements, In and Sb, is unique and confirmed by first principles total energy calculations. The crystal structure can be described by two building units: Ni 2 Sb (building unit of Ni 2 In) and NiIn (NiAs-type). They alternate in the crystal structure and form infinite acslabs (puckered), and the slabs are stacked along [010]. A triangular lattice formed by Ni atoms indicates the existence of a geometrically frustrated structure. The calculated density of states and crystal orbital Hamilton population enlighten the stability and bonding characteristics of the structure.The temperature-dependent neutron diffraction study down to 5 K reveals that the crystal structure remains in the same orthorhombic symmetry with a weak anomaly in the lattice parameters at ∼100 K. Detailed temperature-and magnetic field-dependent magnetic properties of the title phase Ni 3 InSb show spin-glass-or spin-disorder-like behaviors below ∼300 K with an unusual magnetic behavior below 100 K, where an enhancement of magnetization with a decrease of the coercive field has been found.

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A neutron and X-ray powder diffraction study of B82 related superstructure phases in the Ni–In system

Cited by 6 publications

References 19 publications

Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO₂ to Methanol

Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO₂ to Methanol

On squaring triangles – Structural motifs in Cu–In–Sb compounds

Ni₃InSb: Synthesis, Crystal Structure, Electronic Structure, and Magnetic Properties

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A neutron and X-ray powder diffraction study of B82 related superstructure phases in the Ni–In system

Cited by 6 publications

References 19 publications

Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO2 to Methanol

Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO2 to Methanol

On squaring triangles – Structural motifs in Cu–In–Sb compounds

Ni3InSb: Synthesis, Crystal Structure, Electronic Structure, and Magnetic Properties

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Product

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Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO₂ to Methanol

Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO₂ to Methanol

Ni₃InSb: Synthesis, Crystal Structure, Electronic Structure, and Magnetic Properties