Perovskites with the Framework‐Forming Xenon

Britvin, Sergey N.; Kashtanov, S. A.; Krzhizhanovskaya, Maria G.; Gurinov, Andrey A.; Glumov, O. V.; Strekopytov, Stanislav; Kretser, Yury L.; Zaitsev, Anatoly N.; Чуканов, Н. В.; Krivovichev, Sergey V.

doi:10.1002/ange.201506690

Cited by 4 publications

(5 citation statements)

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“…In contrast, charge imbalance in cubic perovskite induced by substitution of Ti 4+ for Cr 3+ is compensated by the emergence of oxygen vacancies, without changes at the A-site: Ti 4+ + ½O 2-→ Cr 3+ + ½(□) 0 . In summary, taking into account the unprecedented structural flexibility of the perovskite B-site (Mitchell 2002;Britvin et al 2015), this substitution scheme alone provides a mechanism for incorporation of almost any element into the framework of natural perovskites. The stability of such disordered structures up to very high pressure…”

Section: Oxygen Vacancies: a Gateway To Compositional Flexibility Of Cubic Perovskitementioning

confidence: 99%

Natural cubic perovskite, Ca(Ti,Si,Cr)O3–δ, a versatile potential host for rock-forming and less-common elements up to Earth’s mantle pressure

Britvin

Vlasenko

Aslandukov

et al. 2022

American Mineralogist

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Perovskite, CaTiO 3 , originally described as a cubic mineral, is known to have a distorted (orthorhombic) crystal structure. We herein report on the discovery of natural cubic perovskite. This was identified in gehlenite rocks occurring in a pyrometamorphic complex of the Hatrurim Formation (the Mottled Zone), in the vicinity of the Dead Sea, Negev Desert, Israel. The mineral is associated with native α-(Fe,Ni) metal, schreibersite (Fe 3 P) and Si-rich fluorapatite. The crystals of this perovskite reach 50 μm in size and contain many micron sized inclusions of melilite glass. The mineral contains significant amounts of Si substituting for Ti (up to 9.6 wt.% SiO 2 ) corresponding to 21 mol.% of the davemaoite component (cubic perovskite-type CaSiO 3 ), in addition to up to 6.6 wt.% Cr 2 O 3 .Incorporation of trivalent elements results in the occurrence of oxygen vacancies in the crystal structure; this being the first example of natural oxygen-vacant ABO 3 perovskite with the chemical formula Ca(Ti,Si,Cr)O 3-δ (δ ~ 0.1). Stabilization of cubic symmetry (space group Pm ͞ 3m) is achieved via the mechanism not reported so far for CaTiO 3 , namely displacement of an oxygen atom from its ideal structural position (site splitting). The mineral is stable at atmospheric pressure to 1250±50 °C; above this temperature its crystals fuse with the embedded melilite glass, yielding a mixture of titanite and anorthite upon melt solidification. The mineral is stable upon compression to at least 50 GPa. The a lattice parameter exhibits continuous contraction from 3.808(1) Å at atmospheric pressure to 3.551(6) Å at 50 GPa. The second-order truncation of the Birch-Murnaghan equation of state gives the initial volume V 0 equal to 55.5(2) Å 3 and room temperature isothermal bulk modulus K 0 of 153(11) GPa. The discovery of oxygen-deficient single perovskite suggests previously unaccounted ways for incorporation of almost any element into the perovskite framework up to pressures corresponding to those of the Earth's mantle.

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Section: Oxygen Vacancies: a Gateway To Compositional Flexibility Of Cubic Perovskitementioning

confidence: 99%

Natural cubic perovskite, Ca(Ti,Si,Cr)O3–δ, a versatile potential host for rock-forming and less-common elements up to Earth’s mantle pressure

Britvin

Vlasenko

Aslandukov

et al. 2022

American Mineralogist

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“…Skutterudites can be considered as non-stoichiometric A-site vacant quadruple perovskites □□BB′X 6 . The quadruple perovskite KCa(NaXe)O 6 with Na + and Xe 8+ ordered on B and B′ sites synthesized by Britvin et al (2015) is possibly important with respect to terrestrial noble gas geochemistry. Britvin et al (2015) have suggested that the observed depletion in Xe in the Earth's atmosphere could result from trapping of Xe in lower mantle perovskites.…”

Section: Stoichiometric Double Perovskitesmentioning

confidence: 99%

“…Much of this work was driven by the observation that the perovskite structure is extremely 'flexible' with regard to cationic and anionic replacements and tolerance to ionic defects. Unlike many other structural types, every element of the periodic table, including the noble gases (Shcheka and Keppler, 2012;Britvin et al, 2015;, can be found in some variant of perovskite-structured compounds.…”

Section: Introductionmentioning

confidence: 99%

Nomenclature of the perovskite supergroup: A hierarchical system of classification based on crystal structure and composition

2017

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On the basis of extensive studies of synthetic perovskite-structured compounds it is possible to derive a hierarchy of hettotype structures which are derivatives of the arisotypic cubic perovskite structure (ABX3), exemplified by SrTiO3 (tausonite) or KMgF3 (parascandolaite) by: (1) tilting and distortion of the BX6 octahedra; (2) ordering of A- and B-site cations; (3) formation of A-, B- or X-site vacancies. This hierarchical scheme can be applied to some naturally-occurring oxides, fluorides,hydroxides, chlorides, arsenides, intermetallic compounds and silicates which adopt such derivative crystal structures. Application of this hierarchical scheme to naturally-occurring minerals results in the recognition of a perovskite supergroup which is divided into stoichiometric and non-stoichiometricperovskite groups, with both groups further divided into single ABX3 or double A2BB'X6 perovskites. Subgroups, and potential subgroups, of stoichiometric perovskites include: (1) silicate single perovskites of the bridgmanite subgroup;(2) oxide single perovskites of the perovskite subgroup (tausonite, perovskite, loparite, lueshite, isolueshite, lakargiite, megawite); (3) oxide single perovskites of the macedonite subgroup which exhibit second order Jahn-Teller distortions (macedonite, barioperovskite); (4) fluoride singleperovskites of the neighborite subgroup (neighborite, parascandolaite); (5) chloride single perovskites of the chlorocalcite subgroup; (6) B-site cation ordered double fluoride perovskites of the cryolite subgroup (cryolite, elpasolite, simmonsite); (7) B-site cation orderedoxide double perovskites of the vapnikite subgroup [vapnikite, (?) latrappite]. Non-stoichiometric perovskites include: (1) A-site vacant double hydroxides, or hydroxide perovskites, belonging to the söhngeite, schoenfliesite and stottite subgroups; (2) Anion-deficient perovskitesof the brownmillerite subgroup (srebrodolskite, shulamitite); (3) A-site vacant quadruple perovskites (skutterudite subgroup); (4) B-site vacant single perovskites of the oskarssonite subgroup [oskarssonite]; (5) B-site vacant inverse single perovskites of the coheniteand auricupride subgroups; (6) B-site vacant double perovskites of the diaboleite subgroup; (7) anion-deficient partly-inverse B-site quadruple perovskites of the hematophanite subgroup.

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“…Noble gas or aerogen-bonding interactions were termed as such in 2015 [ 81 ], and afterward, several experimental [ 82 , 83 , 84 ] and theoretical [ 85 , 86 , 87 , 88 , 89 ] investigations have appeared in the literature describing and confirming their relevance in X-ray structures and also its interplay with other interactions. The purpose of this short review is to examine the recent research on NgB interactions, including theoretical and experimental investigations.…”

Section: Introductionmentioning

confidence: 99%

Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides

Frontera

2020

Molecules

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Noble gas (or aerogen) bond (NgB) can be outlined as the attractive interaction between an electron-rich atom or group of atoms and any element of Group-18 acting as an electron acceptor. The IUPAC already recommended systematic nomenclature for the interactions of groups 17 and 16 (halogen and chalcogen bonds, respectively). Investigations dealing with noncovalent interactions involving main group elements (acting as Lewis acids) have rapidly grown in recent years. They are becoming acting players in essential fields such as crystal engineering, supramolecular chemistry, and catalysis. For obvious reasons, the works devoted to the study of noncovalent Ng-bonding interactions are significantly less abundant than halogen, chalcogen, pnictogen, and tetrel bonding. Nevertheless, in this short review, relevant theoretical and experimental investigations on noncovalent interactions involving Xenon are emphasized. Several theoretical works have described the physical nature of NgB and their interplay with other noncovalent interactions, which are discussed herein. Moreover, exploring the Cambridge Structural Database (CSD) and Inorganic Crystal Structure Database (ICSD), it is demonstrated that NgB interactions are crucial in governing the X-ray packing of xenon derivatives. Concretely, special attention is given to xenon fluorides and xenon oxides, since they exhibit a strong tendency to establish NgBs.

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Perovskites with the Framework‐Forming Xenon

Cited by 4 publications

References 41 publications

Natural cubic perovskite, Ca(Ti,Si,Cr)O3–δ, a versatile potential host for rock-forming and less-common elements up to Earth’s mantle pressure

Natural cubic perovskite, Ca(Ti,Si,Cr)O3–δ, a versatile potential host for rock-forming and less-common elements up to Earth’s mantle pressure

Nomenclature of the perovskite supergroup: A hierarchical system of classification based on crystal structure and composition

Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides

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