1995
DOI: 10.1002/zaac.19956210205
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Ba8Cu16P30 – eine neue ternäre Variante des Clathrat I‐Strukturtyps

Abstract: Ba8Cu16P30 (a = 14,117(1) Å, b = 10,093(1) Å, c = 28,022(2) Å) wurde durch Erhitzen eines entsprechenden Elementgemenges auf ca. 800°C erhalten (Ba‐ und P‐Überschuß; Entfernen der Nebenprodukte mit Eisessig/H2O2). Die Verbindung kristallisiert orthorhombisch (Pbcn; Z = 4) in einer neuen Überstruktur des kubischen Clathrat I‐Strukturtyps mit einer geordneten Atomverteilung und wird durch ein dreidimensionales Gerüst aus CuP4‐Tetraedern geprägt. Diese sind über gemeinsame Ecken so miteinander verknüpft, daß Käfi… Show more

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Cited by 67 publications
(57 citation statements)
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“…Four examples of superstructures have been discussed for doped and/or defect type-I clathrates: (a) I 8 [Sn 14 In 10 P 21.2 ᮀ 0.8 ] crystallizes in the tetragonal space group P4 2 /m, exhibiting partial ordering of the defects; [20] (b) the orthorhombic (Pbcn) Ba 8 [Cu 16 P 30 ] exhibits no disorder as P atoms exclusively occupy the 24k and 6c sites and Cu atoms the 16i sites; [21] (c) more recently, the cubic (Ia3d) Rb 8 Sn 44 ᮀ 2 shows a partial ordering of the vacancies; [16] (d) Ba 8 Ge 43 ᮀ 3 is characterized as a fully ordered superstructure when quenched quickly from 800°C or as partially ordered when cooled slowly to ambient conditions. [22] In the present case as in Rb 8 Sn 44 ᮀ 2 and Ba 8 Ge 43 ᮀ 3 , a "klassengleiche" symmetry reduction from Pm3n to Ia3d takes places.…”
Section: Resultsmentioning
confidence: 99%
“…Four examples of superstructures have been discussed for doped and/or defect type-I clathrates: (a) I 8 [Sn 14 In 10 P 21.2 ᮀ 0.8 ] crystallizes in the tetragonal space group P4 2 /m, exhibiting partial ordering of the defects; [20] (b) the orthorhombic (Pbcn) Ba 8 [Cu 16 P 30 ] exhibits no disorder as P atoms exclusively occupy the 24k and 6c sites and Cu atoms the 16i sites; [21] (c) more recently, the cubic (Ia3d) Rb 8 Sn 44 ᮀ 2 shows a partial ordering of the vacancies; [16] (d) Ba 8 Ge 43 ᮀ 3 is characterized as a fully ordered superstructure when quenched quickly from 800°C or as partially ordered when cooled slowly to ambient conditions. [22] In the present case as in Rb 8 Sn 44 ᮀ 2 and Ba 8 Ge 43 ᮀ 3 , a "klassengleiche" symmetry reduction from Pm3n to Ia3d takes places.…”
Section: Resultsmentioning
confidence: 99%
“…They also belong to the clathrate-I type. The phosphide Ba 8 [Cu 16 P 30 ], 249 has been included here, even though there is no halogen present (cf. Table 5), but is a clathrate-I type, too.…”
Section: -249mentioning
confidence: 99%
“…11). The crystal structure of clathrates is based on fourbonded networks composed of atoms of one or several elements of Groups 13, 14 or 15, where only the presence of a Group 14 element is mandatory (the only exclusion 76 is Ba 8 Cu 16 P 30 ). The networks (or frameworks) surround large cavities occupied by guest atoms, namely, cations (of alkali and alkaline-earth metals or europium) or anions (halides or tellurides).…”
Section: Semiconducting Clathratesmentioning
confidence: 99%