Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates Bi MTeO6 (M = Al, Ga)

Fenghua Ding; Matthew L. Nisbet; Hongwei Yu; Weiguo Zhang; Liyuan Chai; P. Shiv Halasyamani; Kenneth R. Poeppelmeier

doi:10.1021/acs.inorgchem.8b01087

Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates Bi MTeO₆ (M = Al, Ga)

Fenghua Ding, Matthew L. Nisbet, Hongwei Yu, Weiguo Zhang, Liyuan Chai, P. Shiv Halasyamani, Kenneth R. Poeppelmeier^*

^*Corresponding author for this work

Chemistry

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Abstract

Single crystals of two new metal tellurates BiMTeO₆ (M = Al, Ga) with a honeycomb layered structure were obtained by the molten flux method and characterized. The BiMTeO₆ compounds both crystallize into a non-centrosymmetric trigonal space group of P312 (no. 149) with cell parameters of a = 5.0667(8) Å, c = 4.9920(16) Å and a = 5.107(3) Å, c = 4.932(6) Å, respectively. The non-centrosymmetry of BiAlTeO₆ and BiGaTeO₆ originates from the packing order of the octahedra. In these two structures, TeO₆ octahedra and MO₆ octahedra share edges and form a honeycomb open-framework with [TeMO₆]_∞ layers. The layers of [MTeO₆]_∞ and [BiO₆]_∞ alternate and are connected along the c-axis by corner-sharing oxygen atoms to form the three-dimensional framework. The chiral compound BiGaTeO₆ exhibits a powder second harmonic generation (SHG) response of ∼0.2 times that of potassium dihydrogen phosphate (KDP) and an absorption edge of 355 nm.

Original language	English (US)
Pages (from-to)	7950-7956
Number of pages	7
Journal	Inorganic chemistry
Volume	57
Issue number	13
DOIs	https://doi.org/10.1021/acs.inorgchem.8b01087
State	Published - Jul 2 2018

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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@article{c1ebdb73abef4334835be4387519e911,

title = "Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates Bi MTeO6 (M = Al, Ga)",

abstract = "Single crystals of two new metal tellurates BiMTeO6 (M = Al, Ga) with a honeycomb layered structure were obtained by the molten flux method and characterized. The BiMTeO6 compounds both crystallize into a non-centrosymmetric trigonal space group of P312 (no. 149) with cell parameters of a = 5.0667(8) {\AA}, c = 4.9920(16) {\AA} and a = 5.107(3) {\AA}, c = 4.932(6) {\AA}, respectively. The non-centrosymmetry of BiAlTeO6 and BiGaTeO6 originates from the packing order of the octahedra. In these two structures, TeO6 octahedra and MO6 octahedra share edges and form a honeycomb open-framework with [TeMO6]∞ layers. The layers of [MTeO6]∞ and [BiO6]∞ alternate and are connected along the c-axis by corner-sharing oxygen atoms to form the three-dimensional framework. The chiral compound BiGaTeO6 exhibits a powder second harmonic generation (SHG) response of ∼0.2 times that of potassium dihydrogen phosphate (KDP) and an absorption edge of 355 nm.",

author = "Fenghua Ding and Nisbet, {Matthew L.} and Hongwei Yu and Weiguo Zhang and Liyuan Chai and Halasyamani, {P. Shiv} and Poeppelmeier, {Kenneth R.}",

note = "Funding Information: This work was supported by funding from the National Science Foundation (DMR-1608218). The single-crystal X-ray data and FT-IR measurements were acquired at Northwestern University′s Integrated Molecular Structure Education and Research Center (IMSERC) at Northwestern University, which is supported by grants from NSF-NSEC, NSF-MRSEC, the KECK Foundation, the State of Illinois, and Northwestern University. This work made use of the J. B. Cohen X-ray Diffraction Facility supported by the MRSEC program of the National Science Foundation (DMR-1720139) at the Materials Research Center of Northwestern University. H.Y., W.G., and P.S.H. thank the Welch Foundation (E-1457) and the NSF (DMR-1503573) for support. Publisher Copyright: Copyright {\textcopyright} 2018 American Chemical Society.",

year = "2018",

month = jul,

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doi = "10.1021/acs.inorgchem.8b01087",

language = "English (US)",

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pages = "7950--7956",

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T1 - Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates Bi MTeO6 (M = Al, Ga)

AU - Ding, Fenghua

AU - Nisbet, Matthew L.

AU - Yu, Hongwei

AU - Zhang, Weiguo

AU - Chai, Liyuan

AU - Halasyamani, P. Shiv

AU - Poeppelmeier, Kenneth R.

N1 - Funding Information: This work was supported by funding from the National Science Foundation (DMR-1608218). The single-crystal X-ray data and FT-IR measurements were acquired at Northwestern University′s Integrated Molecular Structure Education and Research Center (IMSERC) at Northwestern University, which is supported by grants from NSF-NSEC, NSF-MRSEC, the KECK Foundation, the State of Illinois, and Northwestern University. This work made use of the J. B. Cohen X-ray Diffraction Facility supported by the MRSEC program of the National Science Foundation (DMR-1720139) at the Materials Research Center of Northwestern University. H.Y., W.G., and P.S.H. thank the Welch Foundation (E-1457) and the NSF (DMR-1503573) for support. Publisher Copyright: Copyright © 2018 American Chemical Society.

PY - 2018/7/2

Y1 - 2018/7/2

N2 - Single crystals of two new metal tellurates BiMTeO6 (M = Al, Ga) with a honeycomb layered structure were obtained by the molten flux method and characterized. The BiMTeO6 compounds both crystallize into a non-centrosymmetric trigonal space group of P312 (no. 149) with cell parameters of a = 5.0667(8) Å, c = 4.9920(16) Å and a = 5.107(3) Å, c = 4.932(6) Å, respectively. The non-centrosymmetry of BiAlTeO6 and BiGaTeO6 originates from the packing order of the octahedra. In these two structures, TeO6 octahedra and MO6 octahedra share edges and form a honeycomb open-framework with [TeMO6]∞ layers. The layers of [MTeO6]∞ and [BiO6]∞ alternate and are connected along the c-axis by corner-sharing oxygen atoms to form the three-dimensional framework. The chiral compound BiGaTeO6 exhibits a powder second harmonic generation (SHG) response of ∼0.2 times that of potassium dihydrogen phosphate (KDP) and an absorption edge of 355 nm.

AB - Single crystals of two new metal tellurates BiMTeO6 (M = Al, Ga) with a honeycomb layered structure were obtained by the molten flux method and characterized. The BiMTeO6 compounds both crystallize into a non-centrosymmetric trigonal space group of P312 (no. 149) with cell parameters of a = 5.0667(8) Å, c = 4.9920(16) Å and a = 5.107(3) Å, c = 4.932(6) Å, respectively. The non-centrosymmetry of BiAlTeO6 and BiGaTeO6 originates from the packing order of the octahedra. In these two structures, TeO6 octahedra and MO6 octahedra share edges and form a honeycomb open-framework with [TeMO6]∞ layers. The layers of [MTeO6]∞ and [BiO6]∞ alternate and are connected along the c-axis by corner-sharing oxygen atoms to form the three-dimensional framework. The chiral compound BiGaTeO6 exhibits a powder second harmonic generation (SHG) response of ∼0.2 times that of potassium dihydrogen phosphate (KDP) and an absorption edge of 355 nm.

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U2 - 10.1021/acs.inorgchem.8b01087

DO - 10.1021/acs.inorgchem.8b01087

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AN - SCOPUS:85049395875

VL - 57

SP - 7950

EP - 7956

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 13

ER -

Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates Bi MTeO₆ (M = Al, Ga)

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