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Na(2)Ga(7): A Zintl–Wade Phase Related to “α-Tetragonal Boron”
[Image: see text] Na(2)Ga(7) 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 Li(2)B(12)Si(2) structure type. The crystal structure consists of a network of icosahedral Ga(12) units wi...
| Autores principales: | , , , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10265698/ https://www.ncbi.nlm.nih.gov/pubmed/37227413 http://dx.doi.org/10.1021/acs.inorgchem.3c00790 |
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| author | 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 |
| author_facet | 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 |
| author_sort | Yu, Chia-Chi |
| collection | PubMed |
| description | [Image: see text] Na(2)Ga(7) 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 Li(2)B(12)Si(2) structure type. The crystal structure consists of a network of icosahedral Ga(12) 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)Ga(12)](2–) electron counting approach. The compound forms peritectically from Na(7)Ga(13) 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)[(Ga(12))(2–)][Ga(–)](2). Magnetic susceptibility measurements show that Na(2)Ga(7) is diamagnetic. |
| format | Online Article Text |
| id | pubmed-10265698 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2023 |
| publisher | American Chemical Society |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-102656982023-06-15 Na(2)Ga(7): 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 Inorg Chem [Image: see text] Na(2)Ga(7) 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 Li(2)B(12)Si(2) structure type. The crystal structure consists of a network of icosahedral Ga(12) 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)Ga(12)](2–) electron counting approach. The compound forms peritectically from Na(7)Ga(13) 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)[(Ga(12))(2–)][Ga(–)](2). Magnetic susceptibility measurements show that Na(2)Ga(7) is diamagnetic. American Chemical Society 2023-05-25 /pmc/articles/PMC10265698/ /pubmed/37227413 http://dx.doi.org/10.1021/acs.inorgchem.3c00790 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
| spellingShingle | 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 Na(2)Ga(7): A Zintl–Wade Phase Related to “α-Tetragonal Boron” |
| title | Na(2)Ga(7): A Zintl–Wade
Phase Related to “α-Tetragonal Boron” |
| title_full | Na(2)Ga(7): A Zintl–Wade
Phase Related to “α-Tetragonal Boron” |
| title_fullStr | Na(2)Ga(7): A Zintl–Wade
Phase Related to “α-Tetragonal Boron” |
| title_full_unstemmed | Na(2)Ga(7): A Zintl–Wade
Phase Related to “α-Tetragonal Boron” |
| title_short | Na(2)Ga(7): A Zintl–Wade
Phase Related to “α-Tetragonal Boron” |
| title_sort | na(2)ga(7): a zintl–wade
phase related to “α-tetragonal boron” |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10265698/ https://www.ncbi.nlm.nih.gov/pubmed/37227413 http://dx.doi.org/10.1021/acs.inorgchem.3c00790 |
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