Kanatzidisite: A Natural Compound with Distinctive van der Waals Heterolayered Architecture

Luca Bindi; Xiuquan Zhou; Tianqi Deng; Zhi Li; Christopher Wolverton

doi:10.1021/jacs.3c06433

Kanatzidisite: A Natural Compound with Distinctive van der Waals Heterolayered Architecture

Luca Bindi^*, Xiuquan Zhou, Tianqi Deng, Zhi Li, Christopher Wolverton^*

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

New minerals have long been a source of inspiration for the design and discovery. Many quantum materials, including superconductors, quantum spin liquids, and topological materials, have been unveiled through mineral samples with unusual structure types. In this report, we present kanatzidisite, a new naturally occurring material with formula [BiSbS₃]₂[Te₂] and monoclinic symmetry (space group of P2₁/m) with lattice parameters a = 4.0021(5) Å, b = 3.9963(5) Å, c = 21.1009(10) Å, and β = 95.392(3)°. The mineral exhibits a unique structure consisting of alternating BiSbS₃ double van der Waals layers and distorted [Te] square nets essentially forming an array of parallel zigzag Te chains. Our theoretical calculations suggest that the band structure of kanatzidisite may exhibit topological features characteristic of a Dirac semimetal.

Original language	English (US)
Pages (from-to)	18227-18232
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	145
Issue number	33
DOIs	https://doi.org/10.1021/jacs.3c06433
State	Published - Aug 23 2023

Funding

This research was funded by the project “PRIN 2017, TEOREM–deciphering geological processes using Terrestrial and Extraterrestrial ORE Minerals (prot. 2017AK8C32)” (PI: L.B.). X. Z. acknowledges the support from the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division for data analysis and writing conducted at Argonne National Laboratory. Z. L. and C. W. acknowledge financial assistance under the award 70NANB14H012 from the National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD) and the computational resources from the Quest High Performance Computing Facility at Northwestern University. T. D. acknowledges the National Natural Science Foundation of China (Grant No. 62204218) and the Leading Innovative and Entrepreneur Team Introduction Program of Hangzhou (Grant No. TD2022012) for the financial support and the National SuperComputer Center in Tianjin for the computational resources. This research was funded by the project “PRIN 2017, TEOREM-deciphering geological processes using Terrestrial and Extraterrestrial ORE Minerals (prot. 2017AK8C32)” (PI: L.B.). X. Z. acknowledges the support from the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division for data analysis and writing conducted at Argonne National Laboratory. Z. L. and C. W. acknowledge financial assistance under the award 70NANB14H012 from the National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD) and the computational resources from the Quest High Performance Computing Facility at Northwestern University. T. D. acknowledges the National Natural Science Foundation of China (Grant No. 62204218) and the Leading Innovative and Entrepreneur Team Introduction Program of Hangzhou (Grant No. TD2022012) for the financial support and the National SuperComputer Center in Tianjin for the computational resources.

ASJC Scopus subject areas

General Chemistry
Biochemistry
Catalysis
Colloid and Surface Chemistry

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10.1021/jacs.3c06433

Cite this

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title = "Kanatzidisite: A Natural Compound with Distinctive van der Waals Heterolayered Architecture",

abstract = "New minerals have long been a source of inspiration for the design and discovery. Many quantum materials, including superconductors, quantum spin liquids, and topological materials, have been unveiled through mineral samples with unusual structure types. In this report, we present kanatzidisite, a new naturally occurring material with formula [BiSbS3]2[Te2] and monoclinic symmetry (space group of P21/m) with lattice parameters a = 4.0021(5) {\AA}, b = 3.9963(5) {\AA}, c = 21.1009(10) {\AA}, and β = 95.392(3)°. The mineral exhibits a unique structure consisting of alternating BiSbS3 double van der Waals layers and distorted [Te] square nets essentially forming an array of parallel zigzag Te chains. Our theoretical calculations suggest that the band structure of kanatzidisite may exhibit topological features characteristic of a Dirac semimetal.",

author = "Luca Bindi and Xiuquan Zhou and Tianqi Deng and Zhi Li and Christopher Wolverton",

note = "Publisher Copyright: {\textcopyright} 2023 The Authors. Published by American Chemical Society.",

year = "2023",

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doi = "10.1021/jacs.3c06433",

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T1 - Kanatzidisite

T2 - A Natural Compound with Distinctive van der Waals Heterolayered Architecture

AU - Bindi, Luca

AU - Zhou, Xiuquan

AU - Deng, Tianqi

AU - Li, Zhi

AU - Wolverton, Christopher

PY - 2023/8/23

Y1 - 2023/8/23

N2 - New minerals have long been a source of inspiration for the design and discovery. Many quantum materials, including superconductors, quantum spin liquids, and topological materials, have been unveiled through mineral samples with unusual structure types. In this report, we present kanatzidisite, a new naturally occurring material with formula [BiSbS3]2[Te2] and monoclinic symmetry (space group of P21/m) with lattice parameters a = 4.0021(5) Å, b = 3.9963(5) Å, c = 21.1009(10) Å, and β = 95.392(3)°. The mineral exhibits a unique structure consisting of alternating BiSbS3 double van der Waals layers and distorted [Te] square nets essentially forming an array of parallel zigzag Te chains. Our theoretical calculations suggest that the band structure of kanatzidisite may exhibit topological features characteristic of a Dirac semimetal.

AB - New minerals have long been a source of inspiration for the design and discovery. Many quantum materials, including superconductors, quantum spin liquids, and topological materials, have been unveiled through mineral samples with unusual structure types. In this report, we present kanatzidisite, a new naturally occurring material with formula [BiSbS3]2[Te2] and monoclinic symmetry (space group of P21/m) with lattice parameters a = 4.0021(5) Å, b = 3.9963(5) Å, c = 21.1009(10) Å, and β = 95.392(3)°. The mineral exhibits a unique structure consisting of alternating BiSbS3 double van der Waals layers and distorted [Te] square nets essentially forming an array of parallel zigzag Te chains. Our theoretical calculations suggest that the band structure of kanatzidisite may exhibit topological features characteristic of a Dirac semimetal.

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Kanatzidisite: A Natural Compound with Distinctive van der Waals Heterolayered Architecture

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CSD 2270579: Experimental Crystal Structure Determination

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Kanatzidisite: A Natural Compound with Distinctive van der Waals Heterolayered Architecture

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CSD 2270579: Experimental Crystal Structure Determination

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