Na2Cu7(SeO3)4O2Cl4: a selenite chloride compound with Cu7units showing spin-frustration and a magnetization plateau

Tang, Yingying; Zhang, Suyun; Xiang, Hongping; Cui, Meiyan; He, Zhangzhen

doi:10.1039/c6dt01120a

Cited by 9 publications

(8 citation statements)

References 17 publications

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“…By analogy with Cu 5 O 2 (SeO 3 ) 2 Cl 2 polymorphs, its crystal structure contains additional O atoms tetrahedrally coordinated by four Cu atoms [48]. Two (OCu 4 ) tetrahedra share a common Cu atom to form a [O 2 Cu 7 ] dimer ( Figure 8a) similar to those recently observed in the crystal structure of Na 2 Cu 7 O 2 (SeO 3 ) 4 Cl 4 [72,73].…”

Section: Burnsite Kcdcu 7 O 2 (Seo 3 ) 2 CLsupporting

confidence: 59%

Se–Cl Interactions in Selenite Chlorides: A Theoretical Study

Krivovichev

Gorelova

2018

Crystals

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The Se-Cl interactions in five selenite chlorides (α,β-Zn 2 (SeO 3)Cl 2 (sofiite and its polymorph), α,β-Cu 5 O 2 (SeO 3) 2 Cl 2 (georgbokiite and parageorgbokiite), and KCdCu 7 O 2 (SeO 3) 2 Cl 9 (burnsite)) have been investigated by means of the analysis of their theoretical electron density distributions. The analysis reveals the existence in the structures of two basic types of interactions: intermediate interactions with essential covalent contribution and closed-shell interactions. In Zn 2 (SeO 3)Cl 2 polymorphs and burnsite, all metal-oxide and metal-chloride interactions are of the first type, whereas in georgbokiite and parageorgbokiite, the Jahn-Teller distortion results in the elongation of some of the Cu-X bonds and their transition to the closed-shell type. All anion-anion interactions are of the closed-shell type. The energy of the closed-shell Se-Cl interactions can be estimated as 1.4-2.6 kcal. mol −1 , which is comparable to weak hydrogen bonds. Despite their weakness, these interactions provide additional stabilization of structural architectures. The Se 4+-Cl − configurations are localized inside framework channels or cavities, which can be therefore be viewed as regions of weak and soft interactions in the structure.

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Section: Burnsite Kcdcu 7 O 2 (Seo 3 ) 2 CLsupporting

confidence: 59%

Se–Cl Interactions in Selenite Chlorides: A Theoretical Study

Krivovichev

Gorelova

2018

Crystals

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“…The existence of a group with an odd number of possible spin interactions should lead to the spin-frustration effect within such groups. For Na 2 Cu 7 (SeO 3 ) 4 O 2 Cl 4 this effect was indeed found [40]. A frustration effect was evaluated using the empirical frustration parameter f:…”

Section: Compound Na 2 Cu 7 (Seo 3 ) 4 O 2 CLmentioning

confidence: 87%

“…Further research in this field will enable establishing the relationships between the chemical composition, the crystal structure, and the magnetic properties of compounds in this family. To the best of our knowledge, the most recently described group of selenite halide d-metal compounds for which structural and physical properties characterization was reported, are copper compounds with alkali metals MCu 5 (SeO 3 ) 2 O 2 Cl 3 M = Na and K [38,39,62,63] and two isostructural halides Na 2 Cu 7 (SeO 3 ) 4 O 2 X 4 X = Cl and Br [40,64,65] while the chloride is only magnetically characterized (compounds 31-33 in Table 1). The first group comprises compounds derived from the naturally occurring mineral ilinskite NaCu 5 (SeO 3 ) 2 O 2 Cl 3 [62].…”

Section: Francisite Like Compounds Cu 3 M(seo 3 ) 2 O 2 Xmentioning

confidence: 99%

“…Compound Na 2 Cu 7 (SeO 3 ) 4 O 2 Cl 4 [40,65] is an example of a unique structure. There are four independent Cu crystallographic sites.…”

Section: Compound Na 2 Cu 7 (Seo 3 ) 4 O 2 CLmentioning

confidence: 99%

“…[Cu 7 O 14 Cl 4 ] 18− cluster (left) and the copper polyhedra with SeO 3 2groups in the crystal structure of Na 2 Cu 7 (SeO 3 ) 4 O 2 Cl 4 (right)[40].…”

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confidence: 99%

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Transition Metal Selenite Halides: A Fascinating Family of Magnetic Compounds

2018

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The problem of searching for low-dimensional magnetic systems has been a topical subject and has attracted attention of the chemistry and physics community for the last decade. In low-dimensional magnetic systems, magnetic ions are distributed anisotopically and form different groups such as dimers, chains, ladders, or planes. In 3D frameworks, the distances between magnetic ions are equal in all directions while in low-dimensional systems the distances within groups are different from those between groups. The main approach of searching for desired systems is a priori crystal chemical design expecting the needed distribution of transition metal ions in the resulting structure. One of the main concepts of this structural design is the incorporation of the p-element ions with stereochemically active electron pairs and ions acting as spacers in the composition. Transition metal selenite halides, substances that combine SeO 3 2− groups and halide ions in the structure, seem to be a promising object of investigation. Up to now, there are 33 compounds that are structurally described, magnetically characterized, and empirically tested on different levels. The presented review will summarize structural peculiarities and observed magnetic properties of the known transition metal selenite halides. In addition, the known compounds will be analyzed as possible low-dimensional magnetic systems.

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