Synthesis and crystal structures of La3MgBi5 and LaLiBi2

Pan, Da‐Chun; Sun, Zhong‐Ming; Mao, Jiang‐Gao

doi:10.1016/j.jssc.2005.12.030

Cited by 21 publications

(20 citation statements)

References 30 publications

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“…In particular, it is close to the homoatomic contacts in hypervalent Bi square sheets, e.g. in SrMnBi 2 (Cordier & Schä fer, 1977) and LaLiBi 2 (Pan et al, 2006b). As was mentioned in the Introduction (x1), one-and twodimensional pnictide polyanions are often subject to Peierls distortions.…”

Section: Resultsmentioning

confidence: 51%

Undistorted linear Bi chains with hypervalent bonding in La₃TiBi₅ from single-crystal X-ray diffraction

Ovchinnikov

Bobev

2018

Acta Crystallogr C Struct Chem

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The crystal structure of the lanthanum titanium bismuthide LaTiBi (Pearson code hP18, Wyckoff sequence b d g2) has been established from single-crystal X-ray diffraction data and analyzed in detail using first-principles calculations. There are no anomalies pertaining to the atomic displacement parameter of the Ti site, previously reported based on a powder X-ray diffraction analysis of this compound. The anionic substructure contains columns of face-sharing TiBi octahedra and linear Bi chains. Due to a significant La(5d) and Bi(6p) orbital mixing, a perfectly one-dimensional character of the Bi chains is not realised, while a three-dimensional electronic structure is established instead. The latter fact explains the stability of the polyanionic pnictide units against Peierls distortions. The hypervalent bonding in the Bi chains is reflected in a rather long Bi-Bi distance of 3.2264 (4) Å and a typical pattern of bonding and antibonding interactions, as revealed by electronic structure calculations.

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Section: Resultsmentioning

confidence: 51%

Undistorted linear Bi chains with hypervalent bonding in La₃TiBi₅ from single-crystal X-ray diffraction

Ovchinnikov

Bobev

2018

Acta Crystallogr C Struct Chem

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“…In comparison with the 315 antimonides, bismuthides of this structural type have been much less explored, and only La 3 MBi 5 (M = Mg, Sc) and RE 3 MnBi 5 have been reported. − It is thus interesting to explore La 3 MBi 5 , since it then allows one to examine how the physical properties of the 315 phase vary by substituting Bi for Sb. In this paper, we report on the synthesis and structural characterization of the new bismuthides La 3 MBi 5 (M = Ti, Zr, Hf) using a standard solid-state reaction.…”

Section: Introductionmentioning

confidence: 99%

Hypervalent Bismuthides La₃MBi₅ (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity

et al. 2017

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We successfully synthesized the ternary bismuthides LaMBi (M = Ti, Zr, Hf). These compounds crystallize in the hexagonal HfSnCu-anti type structure (space group: P6/mcm) consisting of face-sharing MBi octahedral chains and hypervalent Bi linear chains, both separated by La atoms. Magnetic susceptibility and electrical resistivity measurements revealed that all of the compounds, including the solid solution LaTi(BiSb), exhibit a Pauli paramagnetic behavior without any trace of superconductivity down to 1.85 K, as opposed to a recently reported 4 K superconductivity in LaTiSb. The absence of superconductivity is supported by first-principles band calculations of LaTiBi and LaTiSb that demonstrate similar electronic structures with three-dimensional Fermi surfaces.

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“…First, the Ln 3 MPn 5 structure can accommodate octahedrally coordinated Mg 2+ in the M site, with the other oxidation states behaving similarly, as seen in La 3 MgBi 5 . 67 The relative stability of a 2+ cation in the structure suggests that the 6g Bi ligand atoms may have only partially filled p orbitals. The flexibility of assigned oxidation states in the M site of Ln 3 MPn 5 is indicative of a structure that does not fully conform to the Zintl-Klemm concept, which is attributable to either delocalized bonding in the ZrBi 6 octahedra or mixed valency on the metal site.…”

Section: Resultsmentioning

confidence: 99%

A Class of Magnetic Topological Material Candidates with Hypervalent Bi Chains

Khoury,

Han,

Jovanovic

et al. 2022

Preprint

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The link between crystal and electronic structure is crucial for understanding structureproperty relations in solid-state chemistry. In particular, it has been instrumental in understanding topological materials, where electrons behave differently than they would in conventional solids. Herein, we identify 1D Bi chains as a structural motif of interest for topological materials. We focus on Sm 3 ZrBi 5 , a new quasi-one-dimensional (1D) compound in the Ln 3 MPn 5 (Ln = lanthanide; M = metal; Pn = pnictide) family that crystallizes in the P 6 3 /mcm space group. Density functional theory calculations indicate a complex, topologically non-trivial electronic structure that changes significantly in the presence of spin-orbit coupling. Magnetic measurements show a quasi-1D antiferromagnetic structure with two magnetic transitions at 11.7 and 10.7 K that are invariant to applied field up to 9 T, indicating magnetically frustrated spins. Heat capacity, electrical, and thermal transport measurements support this claim and suggest

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Synthesis and crystal structures of La3MgBi5 and LaLiBi2

Cited by 21 publications

References 30 publications

Undistorted linear Bi chains with hypervalent bonding in La₃TiBi₅ from single-crystal X-ray diffraction

Undistorted linear Bi chains with hypervalent bonding in La₃TiBi₅ from single-crystal X-ray diffraction

Hypervalent Bismuthides La₃MBi₅ (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity

A Class of Magnetic Topological Material Candidates with Hypervalent Bi Chains

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Synthesis and crystal structures of La3MgBi5 and LaLiBi2

Cited by 21 publications

References 30 publications

Undistorted linear Bi chains with hypervalent bonding in La3TiBi5 from single-crystal X-ray diffraction

Undistorted linear Bi chains with hypervalent bonding in La3TiBi5 from single-crystal X-ray diffraction

Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity

A Class of Magnetic Topological Material Candidates with Hypervalent Bi Chains

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Undistorted linear Bi chains with hypervalent bonding in La₃TiBi₅ from single-crystal X-ray diffraction

Undistorted linear Bi chains with hypervalent bonding in La₃TiBi₅ from single-crystal X-ray diffraction

Hypervalent Bismuthides La₃MBi₅ (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity