Synthesis and crystal structure of Fe6Ca2(SeO3)9Cl4 – a porous oxohalide

Hu, Shichao; Johnsson, Mats

doi:10.1039/c3dt50952d

Cited by 13 publications

(18 citation statements)

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“…The interest has also been stimulated by the attempts to understand purely fundamental reasons for structural diversity in selenites and its underlying crystal chemical mechanisms [10][11][12]. In this regard, copper selenite chlorides are of particular importance, due to their natural occurrences as minerals [13][14][15][16][17] and the structures featuring 'scissor'-type disruption of a bonding network induced by the well-localized stereochemically active but chemicall inactive lone electron pairs [18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

[NaCl][Cu(HSeO₃)₂], NaCl-intercalated Cu(HSeO₃)₂: synthesis, crystal structure and comparison with related compounds

Kovrugin¹,

Krivovichev²,

Mentré

et al. 2015

Zeitschrift Für Kristallographie - Crystalline Materials

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NaCl][Cu(HSeO 3 ) 2 ], NaCl-intercalated Cu(HSeO 3 ) 2 : synthesis, crystal structure and comparison with related compounds Abstract: Single crystals of [NaCl][Cu(HSeO 3 ) 2 ] have been prepared by the chemical vapor transport reactions. Its crystal structure (monoclinic, C2/c, a = 13.9874(7), b = 7.2594(4), c = 9.0421(5) Å, β = 127.046(2)°, V = 732.81(7) Å 3 ) is based upon electroneutral [Cu(HSeO 3 ) 2 ] sheets formed by corner sharing between the [CuO 4 ] squares and (HSeO 3 ) groups that are parallel to the (100) plane. Each (SeO 2 OH) -group forms the O h 1 ... O2 hydrogen bond to an adjacent hydroselenite group to constitute a [(SeO 2 OH) 2 ] 2-dimer that provides additional stabilization of the copper diselenite sheet. The [Cu(HSeO 3 ) 2 ] sheets alternate with the sheets consisting of zigzag-Na-Cl-Na-Cl-chains formed by Cl atoms and disordered Na sites. The chains are parallel to the c axis. The linkage between the alternating electroneutral [Cu(HSeO 3 ) 2 ] and [NaCl] sheets is provided by the Cu-Cl and Na-O bonds. The coordination of Na is fivefold and consists of three O and two Cl atoms. [NaCl][Cu(HSeO 3 ) 2 ] is a new member of the group of compounds based upon the M(HSeO 3 ) 2 layers (M 2+ = Cu, Co, Cd). The prototype structure for this group is [Cu(HSeO 3 ) 2 ] that does not have any chemical species separating the copper hydroselenite layers. In other compounds, the interlayer space between the [Cu(HSeO 3 ) 2 ] 0 layers is occupied by structural units of different complexity. [NaCl][Cu(HSeO 3 ) 2 ] can be considered as [Cu(HSeO 3 ) 2 ] intercalated with the NaCl layers consisting of one-dimensional-Na-Cl-Na-Cl-chains.

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Section: Introductionmentioning

confidence: 99%

[NaCl][Cu(HSeO₃)₂], NaCl-intercalated Cu(HSeO₃)₂: synthesis, crystal structure and comparison with related compounds

Kovrugin¹,

Krivovichev²,

Mentré

et al. 2015

Zeitschrift Für Kristallographie - Crystalline Materials

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“…The regions with concentrated and depleted regions of electron density around Se 4+ and Cl − ions do not correlate with each other and are not aligned with the Se-Cl bonding paths. However, the Se-Cl interaction corresponds to the overlap of van der Waals radii: the typical Se-Cl distance is selenite chlorides is in the range 3.30-3.55 Å, whereas the sum of the van der Waals radii (R W ) is equal to R W Se + R W Cl = 1.9 + 1.8 = 3.7 Å [77]. The energy of the Se-Cl closed-shell interactions, E int , can be estimated using the equation proposed by Espinosa et al [78]:…”

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

confidence: 99%

“…Kolmas et al [41] subjected the obtained samples of HA doped with SeO 3 2− and SeO 4 2− selenium ions to ssNMR examination. Spectra were recorded for the nuclei 31 P, 1 H, and 77 Se. The 31 P spectra were recorded using two techniques: one-pulse (Bloch-decay, BD) and 1H→31P cross-polarization (CP).…”

Section: Examinations Using Nuclear Magnetic Resonance Spectroscopy (mentioning

confidence: 99%

“…The signal at about 5.4 ppm is attributed to water adsorbed onto the surface of the crystals. The spectra for the 77 Se nucleus were recorded using the 1 H→ 77 Se CP technique. The obtained spectra for the HA containing selenates showed two intense signals at 1045 ppm, and a much weaker one at 1027 ppm.…”

Section: Examinations Using Nuclear Magnetic Resonance Spectroscopy (mentioning

confidence: 99%

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Crystal Structures of Compounds Containing Ions Selenite

2019

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The chemistry of materials containing Se oxyanions in the +4 oxidation state, such as selenite, hydrogenselenite, and oxoselenate, are of increasing interest in the research community for several reasons. First, the lone pair on the selenium atom can behave as structure-directing agent towards the formation of materials characterized by the presence of hollows or channels in their intimate structures, moreover, the weakly coordinative capability of the Se(IV) electron lone pairs could give rise to interesting supramolecular interactions, and finally, it is known that the incorporation of selenite anions can lead to non-centrosymmetric structures and, consequently, to materials displaying remarkable physicochemical properties. The most important feature is that the full comprehension of the properties of this type of materials cannot be exhaustively understood unless the complete solid state crystal structure is available. In this Special Issue, entitled "Crystal Structures of Compounds Containing Ions Selenite", a series of new selenite-containing compounds synthesized by different methodologies and fully caracterized in the solid state is reported. Moreover the fundamental role of detailed structural analysis in understanding the interactions in the solid state that are responsible for the peculiar chemical-physical properties of such materials is discussed.

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“…Geometrical frustrations originate from competing magnetic spins and often appear in low‐dimensional materials. Transition metal oxohalides containing lone‐pairs, such as Cu 2 Te 2 O 5 Cl 2 , Cu 2 Te 2 O 5 Br 2 , and Fe 6 Ca 2 (SeO 3 ) 9 Cl 4 , have been shown to have a high probability of forming geometrical frustrations due to their low dimensionality.…”

Section: Introductionmentioning

confidence: 99%

High pressure phase transition in FeTe₂O₅Cl

Kim

Choi

et al. 2015

Physica Status Solidi (b)

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Raman and optical absorption spectra of FeTe 2 O 5 Cl at pressures (P) up to 5.9 GPa were measured in order to identify the point of pressure-induced structural phase transition and to compare the vibrational and optical properties of FeTe 2 O 5 Cl to those of FeTe 2 O 5 Br. The structural phase transition was recognized by noticeable changes in the Raman intensities and peak positions at pressure between 1.1 and 1.6 GPa. During the absorbance measurements, a sudden decrease of the band gap value, which is also an indicative of the pressure-induced phase transition, was observed at pressure between 1.5 and 1.9 GPa. The pressure coefficient of the band gap of FeTe 2 O 5 Cl was about À0.118 eV Á GPa À1 at pressures below 1.5 GPa, while the band gap decreases quadratically with pressure (whenand C ¼ À0.003 eV Á GPa À2 ) after the phase transition.

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Synthesis and crystal structure of Fe6Ca2(SeO3)9Cl4 – a porous oxohalide

Cited by 13 publications

References 20 publications

[NaCl][Cu(HSeO₃)₂], NaCl-intercalated Cu(HSeO₃)₂: synthesis, crystal structure and comparison with related compounds

[NaCl][Cu(HSeO₃)₂], NaCl-intercalated Cu(HSeO₃)₂: synthesis, crystal structure and comparison with related compounds

Crystal Structures of Compounds Containing Ions Selenite

High pressure phase transition in FeTe₂O₅Cl

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Synthesis and crystal structure of Fe6Ca2(SeO3)9Cl4 – a porous oxohalide

Cited by 13 publications

References 20 publications

[NaCl][Cu(HSeO3)2], NaCl-intercalated Cu(HSeO3)2: synthesis, crystal structure and comparison with related compounds

[NaCl][Cu(HSeO3)2], NaCl-intercalated Cu(HSeO3)2: synthesis, crystal structure and comparison with related compounds

Crystal Structures of Compounds Containing Ions Selenite

High pressure phase transition in FeTe2O5Cl

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Product

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[NaCl][Cu(HSeO₃)₂], NaCl-intercalated Cu(HSeO₃)₂: synthesis, crystal structure and comparison with related compounds

[NaCl][Cu(HSeO₃)₂], NaCl-intercalated Cu(HSeO₃)₂: synthesis, crystal structure and comparison with related compounds

High pressure phase transition in FeTe₂O₅Cl