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

Mumbaraddi, Dundappa ; Mishra, Vidyanshu ; Lidin, Sven LU and Mar, Arthur (2022) In Journal of Solid State Chemistry 311.
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) 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... (More)

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.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Crystal structure, Electronic structure, Flux growth, Gallides
in
Journal of Solid State Chemistry
volume
311
article number
123157
publisher
Elsevier
external identifiers
  • scopus:85130170581
ISSN
0022-4596
DOI
10.1016/j.jssc.2022.123157
language
English
LU publication?
yes
id
05d6008c-6bdf-4fbe-9420-a0142eb55790
date added to LUP
2022-07-14 13:37:19
date last changed
2023-11-21 06:16:59
@article{05d6008c-6bdf-4fbe-9420-a0142eb55790,
  abstract     = {{<p>The gallides YbNi<sub>3</sub>Ga<sub>9</sub> and YbCu<sub>3</sub>Ga<sub>8</sub> 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 YbNi<sub>3</sub>Ga<sub>9</sub> was redetermined to resolve discrepancies in the literature. For an untwinned crystal of YbNi<sub>3</sub>Ga<sub>9</sub>, the ErNi<sub>3</sub>Al<sub>9</sub>-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 Yb<sub>2</sub>Ga<sub>3</sub> nets in the stacking sequence. Crystals of YbCu<sub>3</sub>Ga<sub>8</sub> were among the minority formed in the flux growth reaction. YbCu<sub>3</sub>Ga<sub>8</sub> adopts the rare BaHg<sub>11</sub>-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.</p>}},
  author       = {{Mumbaraddi, Dundappa and Mishra, Vidyanshu and Lidin, Sven and Mar, Arthur}},
  issn         = {{0022-4596}},
  keywords     = {{Crystal structure; Electronic structure; Flux growth; Gallides}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Journal of Solid State Chemistry}},
  title        = {{Minority report : Structure and bonding of YbNi<sub>3</sub>Ga<sub>9</sub> and YbCu<sub>3</sub>Ga<sub>8</sub> obtained in gallium flux}},
  url          = {{http://dx.doi.org/10.1016/j.jssc.2022.123157}},
  doi          = {{10.1016/j.jssc.2022.123157}},
  volume       = {{311}},
  year         = {{2022}},
}