Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure

Shuvalov, Robert R.; Vergasova, L. P.; Semenova, Tatyana F.; Филатов, С. К.; Krivovichev, Sergey V.; Siidra, Oleg I.; Rudashevsky, N. S.

doi:10.2138/am.2013.4174

Cited by 30 publications

(15 citation statements)

References 28 publications

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“…mol −1 . This energy range is comparable to that observed for weak hydrogen bonds [79] or other weakly bonded configurations, e.g., weak I-O bonds in α-HIO 3 [80], and anion-anion and cation-cation interactions [81,82]. Despite their weakness, these interactions provide additional stabilization of structural architectures.…”

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

confidence: 70%

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

confidence: 70%

Crystal Structures of Compounds Containing Ions Selenite

2019

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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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“…However, it should be noted that the Equation (2) was originally proposed for hydrogen-bonded interactions and its applicability to closed-shell interactions is not fully justified. It is also of interest that the presence of the Se-Cl bonding interactions may at least in part explain the bond-valence deficiency frequently observed for Cl − anions in natural selenite chlorides [22,42,47,48]. Our conclusion about the closed-shell nature of the Se-Cl interactions is also supported by the fact that the total net charges on Se atoms (calculated for sofiite and georgbokiite) are in the range of +6.05-6.07, which indicates that there is no correlation between these values and the number of Se-Cl interactions per Se 4+ cation.…”

Section: Discussionmentioning

confidence: 99%

“…The high affinity of selenite and chloride anions is obvious and requires a chemically reasonable explanation. The problem is also important from the viewpoint of interesting physical properties of transitional metal selenite chlorides [1][2][3][4][5][6][7][8][9][10][11] and their mineralogical occurrences [12][13][14][15][16][17][18][19][20][21][22][23]. Indeed, many transitional metal selenite chlorides display diverse magnetic properties, due to the presence in their structures of low-dimensional arrays of magnetic ions such as Cu 2+ , Ni 2+ , Co 2+ , and Fe 2+ [11].…”

Section: Introductionmentioning

confidence: 99%

“…Indeed, many transitional metal selenite chlorides display diverse magnetic properties, due to the presence in their structures of low-dimensional arrays of magnetic ions such as Cu 2+ , Ni 2+ , Co 2+ , and Fe 2+ [11]. The eruption of Tolbachik volcano (Kamchatka peninsula, Russia) in 1975-1976 was followed by the extensive fumarolic activity, which was accompanied, in particular, by the formation of selenite chloride mineral associations dominated by Cu 2+ -containing species [12,[14][15][16][18][19][20]22,23].…”

Section: Introductionmentioning

confidence: 99%

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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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Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure

Cited by 30 publications

References 28 publications

Crystal Structures of Compounds Containing Ions Selenite

Crystal Structures of Compounds Containing Ions Selenite

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

Se–Cl Interactions in Selenite Chlorides: A Theoretical Study

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Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure

Cited by 30 publications

References 28 publications

Crystal Structures of Compounds Containing Ions Selenite

Crystal Structures of Compounds Containing Ions Selenite

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

Se–Cl Interactions in Selenite Chlorides: A Theoretical Study

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Product

Resources

About

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