Na2Ga7: A Zintl-Wade Phase Related to “α-Tetragonal Boron"

Yu, Chia-Chi; Ormeci, Alim; Veremchuk, Igor; Feng, Xian-Juan; Prots, Yurii; Krnel, Mitja; Koželj, Primož; Schmidt, Marcus; Burkhardt, Ulrich; Böhme, Bodo; Akselrud, Lev; Baitinger, Michael; Grin, Yuri

doi:10.1021/acs.inorgchem.3c00790

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Na₂Ga₇: A Zintl-Wade Phase Related to “α-Tetragonal Boron"

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Yu, Chia-Chi
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126787

Ormeci, Alim
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126891

Veremchuk, Igor
Igor Veremchuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126602

Feng, Xian-Juan
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126806

Prots, Yurii
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons265604

Krnel, Mitja
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons247344

Koželj, Primož
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126835

Schmidt, Marcus
Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126556

Burkhardt, Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126538

Böhme, Bodo
Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126510

Akselrud, Lev
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126529

Baitinger, Michael
Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126626

Grin, Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Yu, C.-C., Ormeci, A., Veremchuk, I., Feng, X.-J., Prots, Y., Krnel, M., et al. (2023). Na₂Ga₇: A Zintl-Wade Phase Related to “α-Tetragonal Boron". Inorganic Chemistry, 62(23), 9054-9062. doi:10.1021/acs.inorgchem.3c00790.

Cite as: https://hdl.handle.net/21.11116/0000-000D-667F-3

Abstract

Na2Ga7 crystallizes with the orthorhombic space group Pnma (no. 62; a = 14.8580(6) Å, b = 8.6766(6) Å, and c = 11.6105(5) Å; Z = 8) and constitutes a filled variant of the Li2B12Si2 structure type. The crystal structure consists of a network of icosahedral Ga12 units with 12 exohedral bonds and four-bonded Ga atoms in which the Na atoms occupy the channels and cavities. The atomic arrangement is consistent with the Zintl [(4b)Ga]− and Wade [(12b)Ga12]2- electron counting approach. The compound forms peritectically from Na7Ga13 and the melt at 501 °C and does not show a homogeneity range. The band structure calculations predict semiconducting behavior consistent with the electron balance [Na+]4[(Ga12)2-][Ga-]2. Magnetic susceptibility measurements show that Na2Ga7 is diamagnetic. © 2023 The Authors. Published by American Chemical Society.