Isolation of the new cubic phases RE4FeGa12-xGex (RE = Sm, Tb; x = 2.5) from Molten gallium

Single-crystal neutron diffraction study of the Ga/Ge distribution

Marina A. Zhuravleva, Xiaoping Wang, Arthur J. Schultz, Thomas Bakas, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

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Abstract

The compounds RE4FeGa12-xGex (RE = Sm, Tb) were discovered in reactions employing molten Ga as a solvent at 850 °C. However, the isostructural Y4FeGa12-xGex was prepared from a direct combination reaction. The crystal structure is cubic with space group Im3m, Z = 2, and a = 8.657(4) Å and 8.5620(9) Å for the Sm and Tb analogues, respectively. Structure refinement based on full-matrix least squares on F02 resulted in R1 = 1.47% and wR2 = 4.13% [1 > 2σ(1)] for RE = Sm and R1 = 2.29% and wR2 = 7.12% [1 > 2σ(1)] for RE = Tb. The compounds crystallize in the U4Re7Si6 structure type, where the RE atoms are located on 8c (1/4, 1/4, 1/4) sites and the Fe atoms on 2a (0, 0, 0) sites. The distribution of Ga and Ge in the structure, investigated with single-crystal neutron diffraction on the Tb analogue, revealed that these atoms are disordered over the 12d (1/4, 0, 1/2) and 12e (x, 0, 0) sites. The amount of Ga/Ge occupying the 12d and 12e sites refined to 89(4)/11 and 70(4)/30%, respectively. Transport property measurements indicate that these compounds are metallic conductors. Magnetic susceptibility measurements and Mössbauer spectroscopy performed on the Tb analogue show a nonmagnetic state for Fe, while the Tb atoms carry a magnetic moment corresponding to a μelf of 9.25 μB.

Original languageEnglish
Pages (from-to)6056-6061
Number of pages6
JournalInorganic Chemistry
Volume41
Issue number23
DOIs
Publication statusPublished - Nov 18 2002

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Gallium
Neutron diffraction
gallium
neutron diffraction
Molten materials
isolation
Single crystals
Atoms
single crystals
analogs
atoms
Metallic compounds
Magnetic moments
Magnetic susceptibility
Transport properties
conductors
magnetic moments
Crystal structure
transport properties
Spectroscopy

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Isolation of the new cubic phases RE4FeGa12-xGex (RE = Sm, Tb; x = 2.5) from Molten gallium : Single-crystal neutron diffraction study of the Ga/Ge distribution. / Zhuravleva, Marina A.; Wang, Xiaoping; Schultz, Arthur J.; Bakas, Thomas; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 41, No. 23, 18.11.2002, p. 6056-6061.

Research output: Contribution to journalArticle

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abstract = "The compounds RE4FeGa12-xGex (RE = Sm, Tb) were discovered in reactions employing molten Ga as a solvent at 850 °C. However, the isostructural Y4FeGa12-xGex was prepared from a direct combination reaction. The crystal structure is cubic with space group Im3m, Z = 2, and a = 8.657(4) {\AA} and 8.5620(9) {\AA} for the Sm and Tb analogues, respectively. Structure refinement based on full-matrix least squares on F02 resulted in R1 = 1.47{\%} and wR2 = 4.13{\%} [1 > 2σ(1)] for RE = Sm and R1 = 2.29{\%} and wR2 = 7.12{\%} [1 > 2σ(1)] for RE = Tb. The compounds crystallize in the U4Re7Si6 structure type, where the RE atoms are located on 8c (1/4, 1/4, 1/4) sites and the Fe atoms on 2a (0, 0, 0) sites. The distribution of Ga and Ge in the structure, investigated with single-crystal neutron diffraction on the Tb analogue, revealed that these atoms are disordered over the 12d (1/4, 0, 1/2) and 12e (x, 0, 0) sites. The amount of Ga/Ge occupying the 12d and 12e sites refined to 89(4)/11 and 70(4)/30{\%}, respectively. Transport property measurements indicate that these compounds are metallic conductors. Magnetic susceptibility measurements and M{\"o}ssbauer spectroscopy performed on the Tb analogue show a nonmagnetic state for Fe, while the Tb atoms carry a magnetic moment corresponding to a μelf of 9.25 μB.",
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N2 - The compounds RE4FeGa12-xGex (RE = Sm, Tb) were discovered in reactions employing molten Ga as a solvent at 850 °C. However, the isostructural Y4FeGa12-xGex was prepared from a direct combination reaction. The crystal structure is cubic with space group Im3m, Z = 2, and a = 8.657(4) Å and 8.5620(9) Å for the Sm and Tb analogues, respectively. Structure refinement based on full-matrix least squares on F02 resulted in R1 = 1.47% and wR2 = 4.13% [1 > 2σ(1)] for RE = Sm and R1 = 2.29% and wR2 = 7.12% [1 > 2σ(1)] for RE = Tb. The compounds crystallize in the U4Re7Si6 structure type, where the RE atoms are located on 8c (1/4, 1/4, 1/4) sites and the Fe atoms on 2a (0, 0, 0) sites. The distribution of Ga and Ge in the structure, investigated with single-crystal neutron diffraction on the Tb analogue, revealed that these atoms are disordered over the 12d (1/4, 0, 1/2) and 12e (x, 0, 0) sites. The amount of Ga/Ge occupying the 12d and 12e sites refined to 89(4)/11 and 70(4)/30%, respectively. Transport property measurements indicate that these compounds are metallic conductors. Magnetic susceptibility measurements and Mössbauer spectroscopy performed on the Tb analogue show a nonmagnetic state for Fe, while the Tb atoms carry a magnetic moment corresponding to a μelf of 9.25 μB.

AB - The compounds RE4FeGa12-xGex (RE = Sm, Tb) were discovered in reactions employing molten Ga as a solvent at 850 °C. However, the isostructural Y4FeGa12-xGex was prepared from a direct combination reaction. The crystal structure is cubic with space group Im3m, Z = 2, and a = 8.657(4) Å and 8.5620(9) Å for the Sm and Tb analogues, respectively. Structure refinement based on full-matrix least squares on F02 resulted in R1 = 1.47% and wR2 = 4.13% [1 > 2σ(1)] for RE = Sm and R1 = 2.29% and wR2 = 7.12% [1 > 2σ(1)] for RE = Tb. The compounds crystallize in the U4Re7Si6 structure type, where the RE atoms are located on 8c (1/4, 1/4, 1/4) sites and the Fe atoms on 2a (0, 0, 0) sites. The distribution of Ga and Ge in the structure, investigated with single-crystal neutron diffraction on the Tb analogue, revealed that these atoms are disordered over the 12d (1/4, 0, 1/2) and 12e (x, 0, 0) sites. The amount of Ga/Ge occupying the 12d and 12e sites refined to 89(4)/11 and 70(4)/30%, respectively. Transport property measurements indicate that these compounds are metallic conductors. Magnetic susceptibility measurements and Mössbauer spectroscopy performed on the Tb analogue show a nonmagnetic state for Fe, while the Tb atoms carry a magnetic moment corresponding to a μelf of 9.25 μB.

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