The Crystal Structure of Ba5Cu2Al3F23: A Complex Barium, Copper, Aluminum Fluoride, with Copper (II) in Trigonal Prismatic Environment

Dupont, Nathalie; Gredin, Patrick; Caramanian, Armen; Kozak, A. De

doi:10.1006/jssc.1999.8439

Cited by 5 publications

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“…6 ] octahedra, which belong to two different [Cu 2 F 10 ] bioctahedra (A4), or to one bioctahedron and one octahedron (B4). [CuF 6 ] trigonal prisms are also evidenced here, just as in the crystal structure of Ba 5 Cu 2 Al 3 F 23 [5]. In terms of blocks the succession is: A4, A4, A4, B6, B4, A4, A4, A4 and A6.…”

Section: Description Of the Structure And Discussionsupporting

confidence: 64%

“…3). Aluminium octahedra are fairly regular and copper octahedra are distorted by a strong Jahn-Teller effect [5]. In the second direction the previous chains are linked together by the Fig.…”

Section: Description Of the Structure And Discussionmentioning

confidence: 99%

“…4 Representation of bricks 1 a and 1 b, constituted by the association of one [Cu 2 F 10 ] bioctahedral unit (two octahedra sharing an edge) and two [MF 6 ] octahedra. In particular bioctahedral copper units [Cu 2 F 10 ] ensure the linkage between chains in the structures of Ba 5 Cu 2 Al 3 F 23 [5] and Ba 45 Cu 28 Al 17 F 197 . These two kinds of blocks of six polyhedra and their connections with the blocks of four polyhedra can be seen on figure 8.…”

Section: Description Of the Structure And Discussionmentioning

confidence: 99%

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The Ternary System BaF2/CuF2/AlF3 and the Crystal Structure of Ba45Cu28Al17F197

Dupont

Gredin

Samouël

et al. 2002

Z. anorg. allg. Chem.

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The ternary system BaF 2 /CuF 2 /AlF 3 is investigated by X-ray diffraction techniques and an isothermal section at 620°C is established. It exhibits ten quaternary phases and among them Ba 45 Cu 28 Al 17 F 197 . This fluoride has a triclinic cell: a = 14.024(1) A Ê , b = 23.778(1) A Ê , c = 25.480(1) A Ê , a = 90.44(1)°, b = 90.26(1)°, c = 107.03(1)°, Z = 2. Its crystal structure was solved in the space group P1 (n o 1), from X-ray single crystal data using 41976 unique reflections. It is built up from a complex arrangement of aluminium and copper fluorine polyhedra, which are regular [AlF 6 ] and strongly distorted [CuF 6 ] octahedra, [CuF 6 ] trigonal prisms and [Cu 2 F 10 ] bipolyhedral units constituted either by two octahedra, or one octahedron and one trigonal prism, connected by an edge. These polyhedra are organized in planes of about two octahedra thickness, which form a succession of sheets running perpendicularly to the [100] direction of the cell. Each sheet is constituted by infinite chains of distorted polyhedra connected by edges and vertices and linked together by the vertices of blocks of four and six polyhedra, involving aluminium fluorine octahedra and copper fluorine bipolyhedral units or octahedra. The barium ions, 10 to 14coordinated to fluorine atoms, ensure the electroneutrality of the structure. They are inserted inside the planes. wurde ro È ntgenographisch untersucht und ein isothermer Schnitt seines Phasendiagramms bei 620°C erstellt. Es zeigt zehn quaterna È re Phasen, darunter Ba 45 Cu 28 Al 17 F 197 . Dieses Fluorid hat eine trikline Zelle: a = 14,024(1) A Ê ; b = 23,778(1) A Ê ; c = 25,480(1) A Ê ; a = 90,44(1)°; b = 90,26(1)°, c = 107,03(1)°; Z = 2. Seine Kristallstruktur wurde in der Raumgruppe P1 (Nr. 1) unter Verwendung von 41976 unabha È ngigen Einkristallreflexen gelo È st. Sie besteht aus einer komplexen Anordnung von Aluminium-und Kupfer-Fluoridpolyedern, na Èmlich regula È ren [AlF 6 ]-und stark verzerrten [CuF 6 ]-Oktaedern, trigonalen Prismen [CuF 6 ] und zweikernigen Bausteinen [Cu 2 F 10 ], die entweder aus zwei Oktaedern oder Oktaeder und trigonalem Prisma durch Kantenverknu È pfung gebildet werden. Die genannten Einheiten sind in Ebenen organisiert, die etwa zwei Oktaeder dick sind und eine Folge von Schichten senkrecht zur [100]-Richtung der Zelle bilden. Jede Schicht ist aus verzerrten Polyedern aufgebaut, die u È ber Kanten und Ecken zu unendlichen Ketten verknu È pft sind. Die Querverbindung der Ketten erfolgt u È ber die Ecken von Polyedern, die zu viert oder sechst Blo È cke bilden, bestehend aus [AlF 6 ]-Oktaedern und Einheiten von [Cu 2 F 10 ] oder [CuF 6 ]. Die Bariumionen sind mit Koordinationszahlen von 10 bis 14 in die Schichten eingebettet und besorgen den Ladungsausgleich.

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Section: Description Of the Structure And Discussionsupporting

confidence: 64%

Section: Description Of the Structure And Discussionmentioning

confidence: 99%

Section: Description Of the Structure And Discussionmentioning

confidence: 99%

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The Ternary System BaF2/CuF2/AlF3 and the Crystal Structure of Ba45Cu28Al17F197

Dupont

Gredin

Samouël

et al. 2002

Z. anorg. allg. Chem.

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“…In Ba 2 Cu 2 AlF 11 299 (Figure 44a), two Cu 2+ cations in square pyramidal and octahedral coordinations share a common edge, and the dimers are further connected by corners in [0001] chains. In Ba 5 Cu 2 Al 3 F 23 464 (Figure 44b), it is assumed that Cu 2+ could lie in a trigonal prismatic environment in [103̅ ] cis-chains of polyhedra.…”

Section: D Fluorides and Oxide-fluoridesmentioning

confidence: 99%

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

2014

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The stereochemistry of fluorides will be discussed in terms of dimensionality. This dimensionality, from 0D to 3D, is related to the connectivity of the building MX n m− units containing the metal M (M = aluminum, transition metal, or rare earth elements, X = F, O, N, S). These building units share eventually one, two, or three fluorine or oxygen atoms (corner, edge, or face of the MX n m− polyhedra) to form limited polyanions, infinite chains or layers, or a 3D network. Consequently, the structures will be presented according to their dimensionality, to their structural family, and to the nature of the building units. Imaginative associations of the building units will be eventually used to homogenize the structural descriptions. At the end of each section, some outstanding physical properties will be briefly presented and related to the structural data: ionic conductivity, superconductivity, ferroelasticity, and magnetism.The reader should be aware that the IUPAC nomenclature suggests "fluorido" instead of "fluoro" that is used all along this Review. All crystal structure projections were realized with Diamond software (Diamond -Crystal and Molecular Structure

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The Crystal Structure of Ba₃Cu₂Al₂F₁₆: a Relative of Ba₄Cu₂Al₃F₂₁

Gredin

Corbel

Wright

et al. 2003

Zeitschrift anorg allge chemie

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Ba 3 Cu 2 Al 2 F 16 is monoclinic: a ϭ 7.334(1) Å , b ϭ 5.320(2) Å , c ϭ 16.022(1) Å , β ϭ 96.34(1)°, Z ϭ 2. Its crystal structure was solved in the space group P2 1 (No. 4) from synchrotron X-ray single crystal data using 2685 unique reflections (2639 with F o /σ(F o ) > 4). The final R factor is 0.044. The structure consists of a succession along the c-axis of the cell of three layers of two different kinds of sheets developing in the (a,b) plane. The first one, formulated [(AlF 5 ) 2 ] ϱ 4Ϫ and hereafter named A, is built up from infinite cis-chains of aluminium-fluorine octahedra [AlF 6 ], linked by two vertices and distanced by a. The second one, formulated [Cu 2 AlF 11 ] ϱ 4Ϫ and named B, is bidimensional. It is constituted of F 16 kristallisiert monoklin mit den Gitterkonstanten: a ϭ 7,334(1) Å , b ϭ 5,320(2) Å , c ϭ 16,022(1) Å , β ϭ 96,34(1)°, Z ϭ 2. Die Kristallstruktur wurde an einem mit Synchrotronstrahlung untersuchten Einkristall in der Raumgruppe P2 1 (Nr. 4), mit 2685 unabhängigen Reflexen (2639 mit F o /σ(F o ) > 4) bestimmt und bis zu einem Übereinstimmungsindex von R ϭ 0,044 verfeinert. Die struktur ist längs der c-Achse aus drei Schichten aufgebaut, die sich in der (a,b)-Ebene erstrecken und von zweierlei Art sind. Die eine, mit der Zusammensetzung [(AlF 5 ) 2 ] ϱ 4Ϫ und nachfolgend A genannt, besteht nur aus [AlF 6 ]-Oktaedern, die längs [0 1 0] unendlich über cis-Ecken zu Ketten verknüpft sind, die den Abstand

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The Crystal Structure of Ba5Cu2Al3F23: A Complex Barium, Copper, Aluminum Fluoride, with Copper (II) in Trigonal Prismatic Environment

Cited by 5 publications

References 7 publications

The Ternary System BaF2/CuF2/AlF3 and the Crystal Structure of Ba45Cu28Al17F197

The Ternary System BaF2/CuF2/AlF3 and the Crystal Structure of Ba45Cu28Al17F197

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

The Crystal Structure of Ba₃Cu₂Al₂F₁₆: a Relative of Ba₄Cu₂Al₃F₂₁

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The Crystal Structure of Ba5Cu2Al3F23: A Complex Barium, Copper, Aluminum Fluoride, with Copper (II) in Trigonal Prismatic Environment

Cited by 5 publications

References 7 publications

The Ternary System BaF2/CuF2/AlF3 and the Crystal Structure of Ba45Cu28Al17F197

The Ternary System BaF2/CuF2/AlF3 and the Crystal Structure of Ba45Cu28Al17F197

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

The Crystal Structure of Ba3Cu2Al2F16: a Relative of Ba4Cu2Al3F21

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The Crystal Structure of Ba₃Cu₂Al₂F₁₆: a Relative of Ba₄Cu₂Al₃F₂₁