The crystal structure of Zr9S2

Cheng, Haiyan; Franzen, Hugo F.

doi:10.1107/s0567740872004376

Cited by 19 publications

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“…FegP [113] (Ni^P type [32]), and sulfides, e.g. Zr^Sg [30], a-VgS [29], and p-VgS [29]. This structure is also reported Ta^ gNbi iPg and Hf^gNbi gPg are given in Table 7.11 along with their esd's.…”

Section: Resultsmentioning

confidence: 96%

“…Kappa-phases in the Zr-V-S and Hf-V-S systems were discovered during a separate investigation. ZrgSj [30], a-VgS [29], and p-VgS [29] are members of a class of compounds which contain doubly-centered polyhedra linked in different arrangements as discussed in the introduction. An obvious experimental avenue was to investigate the Zr-V-S mixed metal-rich system to see if any structures would form with new arrangements of these polyhedra.…”

Section: Sem-eds Is Not a Quantitative Technique For Analysis Of O Ormentioning

confidence: 99%

“…Four out of the twenty-two polyhedral atoms are nonmetals and the specific structure and stoichiometry depends on the interconnectivity of these polyhedral units. The sulfides found in this class include only a-VgS [29], p-VgS [29], and Zr^Sg [30] structure types while some phosphides are found in the TigP [31] structure. Investigations of (Hf,Nb)3P and (Ta,Nb)3P [19] solid solutions in the TigP structure are discussed in this research.…”

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Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems

Marking

1994

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Section: Resultsmentioning

confidence: 96%

Section: Sem-eds Is Not a Quantitative Technique For Analysis Of O Ormentioning

confidence: 99%

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confidence: 99%

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Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems

Marking

1994

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“…Die ra Èumlich gemittelte Kristallstruktur von Zr 6 STe 2 la È sst sich in der orthorhombischen Raumgruppe Cmcm beschreiben: a = 377.81(4), b = 1156.4(1), c = 887.96 (8), Z = 2, Pearson-Symbol oC18, 320 Reflexe (I > 2r(I)), 22 Variablen, R w (I) = 0.088. Geburtstag gewidmet Inhaltsu È bersicht.…”

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Zr6STe2 - ein zirconiumreiches Sulfidtellurid mit einer Zr3Te-Teilstruktur vom Re3B-Typ

Örlygsson

Conrad

Harbrecht

2001

Z. anorg. allg. Chem.

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Professor Kurt Dehnicke zum 70. Geburtstag gewidmet Inhaltsu È bersicht. Zr 6 STe 2 ist durch Reduktion eines Gemenges von ZrTe 2 und ZrS 2 mit Zirconium in gasdicht verschweiûten Tantaltiegeln bei 1520 K zuga È nglich. Die ra Èumlich gemittelte Kristallstruktur von Zr 6 STe 2 la È sst sich in der orthorhombischen Raumgruppe Cmcm beschreiben: a = 377.81(4), b = 1156.4(1), c = 887.96(8), Z = 2, Pearson-Symbol oC18, 320 Reflexe (I > 2r(I)), 22 Variablen, R w (I) = 0.088. Zr 6 STe 2 bildet einen eigenen Strukturtyp, der sich struktursystematisch als teilweise aufgefu È llter Re 3 B-Typ einordnen la È sst. Die Telluratome sind dreifach-u È berdacht, verzerrt trigonal-prismatisch von neun Zirconiumatomen umgeben. Die Zr 9 Te-Tetrakaidekaeder sind u È ber gemeinsame trigonale Prismenfla È chen (la È ngs [100]), Kanten (etwa parallel [001]) und Spitzen (la È ngs [010]) zu einem dreidimensionalen Tetrakaidekaedernetzwerk 3 1 [Zr 9/3 Te] verknu È pft, zu dessen Stabilita È t homonukleare Zr±Zr-Bindungswechselwirkungen maûgeblich beitragen. Zwischen den Tetrakaidekaedern befinden sich Zr 6 -Oktaeder, die u È ber Kanten (la È ngs [100]) und Spitzen (la È ngs [001]) zu Schichten verknu È pft sind. Infolge einer Verzerrung der Struktur weitet sich die Ha È lfte der Oktaeder einer Schicht soweit auf, dass die Schwefelatome Platz darin finden. Den Beugungsbefunden nach erfolgt die Ausordnung der Leerstellen in benachbarten Oktaederschichten unabha È ngig voneinander.Abstract. Zr 6 STe 2 is accessible through the reduction of a mixture of ZrTe 2 and ZrS 2 with zirconium in fused tantalum tubes at 1520 K. The spatially averaged crystal structure of Zr 6 STe 2 is described in the space group Cmcm, a = 377.81(4), b = 1156.4(1), c = 887.96(8), Z = 2, Pearson symbol oC18, 320 reflexions (I > 2r(I)), 22 variables, R w (I) = 0.088. Zr 6 STe 2 crystallizes in a unique structure type, which can be seen as a filled Re 3 B type structure. The tellurium atoms are surrounded by nine zirconium atoms situated at the vertices of a distorted, tricapped trigonal prism. The Zr 9 Te tetrakaidecahedra are connected by common triangular prism faces parallel [100], edges approximately along [001] and common vertices along [010], thus forming a three-dimensional tetra-kaidecahedral network 3 1 [Zr 9/3 Te], which is decisively stabilized by homonuclear Zr±Zr-interactions. The tetrakaidecahedra are arranged in such a way, that Zr 6 octahedra occur. The octahedra are arranged into layers by sharing edges parallel [100] and vertices along [001]. As a result of a distortion of the structure, every second octahedron is expanded to such an extent as to be able to smoothly accommodate sulfur atoms. According to the modulation of the diffraction intensities, the vacancy ordering in adjacent layers of octahedra occurs independently of each other.

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“…As it is the strength of this metal-metal bonding that is essential for the formation of these phases, a better criterion is the condition E n(M-M) / E n(M-X) > 1, where n is the Pauling bond order [4], as detemiined by the A number of metal-rich compounds have been discovered in this lab alone. Considering just the binary sulfides of the Group 4 and Group 5 elements, they include TijS [2], TigS^ [5], ZrjS [6], ZrjiSg [6], ZrgSg [7], HfjS [8], NbjjSg [9], Nbi^Sg [10], Ta^S [11], a-Ta^S [12], P-TagS [13].…”

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Interstitially stabilized phases in the zirconium-nickel system

Mackay

1993

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The crystal structure of Zr9S2

Cited by 19 publications

References 7 publications

Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems

Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems

Zr6STe2 - ein zirconiumreiches Sulfidtellurid mit einer Zr3Te-Teilstruktur vom Re3B-Typ

Interstitially stabilized phases in the zirconium-nickel system

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