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


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.

SUBMITTER: Yu CC 

PROVIDER: S-EPMC10265698 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature

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Na<sub>2</sub>Ga<sub>7</sub> crystallizes with the orthorhombic space group <i>Pnma</i> (no. 62; <i>a</i> = 14.8580(6) Å, <i>b</i> = 8.6766(6) Å, and <i>c</i> = 11.6105(5) Å; <i>Z</i> = 8) and constitutes a filled variant of the Li<sub>2</sub>B<sub>12</sub>Si<sub>2</sub> structure type. The crystal structure consists of a network of icosahedral Ga<sub>12</sub> units with 12 exohedral bonds and four-bonded Ga atoms in which the Na atoms occupy the channels and cavities. The atomic arrangement is  ...[more]

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