Minority report: Structure and bonding of YbNi3Ga9 and YbCu3Ga8 obtained in gallium flux

Dundappa Mumbaraddi; Vidyanshu Mishra; Sven Lidin; Arthur Mar

doi:10.1016/j.jssc.2022.123157

Minority report: Structure and bonding of YbNi₃Ga₉ and YbCu₃Ga₈ obtained in gallium flux

Dundappa Mumbaraddi, Vidyanshu Mishra, Sven Lidin, Arthur Mar

University of Alberta

Forskningsoutput: Tidskriftsbidrag › Artikel i vetenskaplig tidskrift › Peer review

Sammanfattning

The gallides YbNi₃Ga₉ and YbCu₃Ga₈ were obtained from flux growth reactions of Yb, various transition metals M, and Ga, to test a stability diagram that predicts the formation of ternary intermetallic phases. The structure of YbNi₃Ga₉ was redetermined to resolve discrepancies in the literature. For an untwinned crystal of YbNi₃Ga₉, the ErNi₃Al₉-type structure was confirmed (space group R32, a = 7.2294(7) Å, c = 27.513(3) Å, Z = 6), giving rise to an ordered arrangement of Yb₂Ga₃ nets in the stacking sequence. Crystals of YbCu₃Ga₈ were among the minority formed in the flux growth reaction. YbCu₃Ga₈ adopts the rare BaHg₁₁-type structure (space group Pm3¯m, a = 8.2818(13) Å, Z = 3), with Cu and Ga atoms assumed to be disordered. As examples of polar intermetallics, these compounds exhibit electron transfer from Yb to Ga atoms, which then form multicentre covalent bonding networks, as confirmed by electronic structure calculations.

Originalspråk	engelska
Artikelnummer	123157
Tidskrift	Journal of Solid State Chemistry
Volym	311
DOI	https://doi.org/10.1016/j.jssc.2022.123157
Status	Published - 2022

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@article{05d6008c6bdf4fbe9420a0142eb55790,

title = "Minority report: Structure and bonding of YbNi3Ga9 and YbCu3Ga8 obtained in gallium flux",

abstract = "The gallides YbNi3Ga9 and YbCu3Ga8 were obtained from flux growth reactions of Yb, various transition metals M, and Ga, to test a stability diagram that predicts the formation of ternary intermetallic phases. The structure of YbNi3Ga9 was redetermined to resolve discrepancies in the literature. For an untwinned crystal of YbNi3Ga9, the ErNi3Al9-type structure was confirmed (space group R32, a = 7.2294(7) {\AA}, c = 27.513(3) {\AA}, Z = 6), giving rise to an ordered arrangement of Yb2Ga3 nets in the stacking sequence. Crystals of YbCu3Ga8 were among the minority formed in the flux growth reaction. YbCu3Ga8 adopts the rare BaHg11-type structure (space group Pm3¯m, a = 8.2818(13) {\AA}, Z = 3), with Cu and Ga atoms assumed to be disordered. As examples of polar intermetallics, these compounds exhibit electron transfer from Yb to Ga atoms, which then form multicentre covalent bonding networks, as confirmed by electronic structure calculations.",

keywords = "Crystal structure, Electronic structure, Flux growth, Gallides",

author = "Dundappa Mumbaraddi and Vidyanshu Mishra and Sven Lidin and Arthur Mar",

year = "2022",

doi = "10.1016/j.jssc.2022.123157",

language = "English",

volume = "311",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Elsevier",

}

TY - JOUR

T1 - Minority report

T2 - Structure and bonding of YbNi3Ga9 and YbCu3Ga8 obtained in gallium flux

AU - Mumbaraddi, Dundappa

AU - Mishra, Vidyanshu

AU - Lidin, Sven

AU - Mar, Arthur

PY - 2022

Y1 - 2022

N2 - The gallides YbNi3Ga9 and YbCu3Ga8 were obtained from flux growth reactions of Yb, various transition metals M, and Ga, to test a stability diagram that predicts the formation of ternary intermetallic phases. The structure of YbNi3Ga9 was redetermined to resolve discrepancies in the literature. For an untwinned crystal of YbNi3Ga9, the ErNi3Al9-type structure was confirmed (space group R32, a = 7.2294(7) Å, c = 27.513(3) Å, Z = 6), giving rise to an ordered arrangement of Yb2Ga3 nets in the stacking sequence. Crystals of YbCu3Ga8 were among the minority formed in the flux growth reaction. YbCu3Ga8 adopts the rare BaHg11-type structure (space group Pm3¯m, a = 8.2818(13) Å, Z = 3), with Cu and Ga atoms assumed to be disordered. As examples of polar intermetallics, these compounds exhibit electron transfer from Yb to Ga atoms, which then form multicentre covalent bonding networks, as confirmed by electronic structure calculations.

AB - The gallides YbNi3Ga9 and YbCu3Ga8 were obtained from flux growth reactions of Yb, various transition metals M, and Ga, to test a stability diagram that predicts the formation of ternary intermetallic phases. The structure of YbNi3Ga9 was redetermined to resolve discrepancies in the literature. For an untwinned crystal of YbNi3Ga9, the ErNi3Al9-type structure was confirmed (space group R32, a = 7.2294(7) Å, c = 27.513(3) Å, Z = 6), giving rise to an ordered arrangement of Yb2Ga3 nets in the stacking sequence. Crystals of YbCu3Ga8 were among the minority formed in the flux growth reaction. YbCu3Ga8 adopts the rare BaHg11-type structure (space group Pm3¯m, a = 8.2818(13) Å, Z = 3), with Cu and Ga atoms assumed to be disordered. As examples of polar intermetallics, these compounds exhibit electron transfer from Yb to Ga atoms, which then form multicentre covalent bonding networks, as confirmed by electronic structure calculations.

KW - Crystal structure

KW - Electronic structure

KW - Flux growth

KW - Gallides

U2 - 10.1016/j.jssc.2022.123157

DO - 10.1016/j.jssc.2022.123157

M3 - Article

AN - SCOPUS:85130170581

SN - 0022-4596

VL - 311

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

M1 - 123157