Synthesis, structure, and conductivity of the new group IV chalcogenides, KCuZrQ[sub 3] (Q = S, Se, Te)

Journal Article · Tue Dec 01 04:00:00 EST 1992 · Journal of Solid State Chemistry; (United States)

DOI:https://doi.org/10.1016/0022-4596(92)90182-U· OSTI ID:7124226

Mansuetto, M F; Keane, P M; Ibers, J A ^[1]

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1. Northwestern Univ., Evanston, IL (United States)

The new compounds KCuZrQ[sub 3] (Q = S, Se, Te) and KCuHfS[sub 3] have been synthesized through direct reaction of the elements with a K[sub 2]Q[sub y] flux. The compounds crystallize in space group D[sup 17][sub 2h]-Cmcm of the orthorhombic system with four formula units in cells of dimensions: a = 3.730(2), b = 13.915(7), and c = 9.754(6) [Angstrom] for KCuZrS[sub 3]; a = 3.874(2), b = 14.506(7), and c = 10.159(5) [Angstrom] for KCuZrSe[sub 3]; and a = 4.088(1), b = 15.299(5), and c = 10.886(3) [Angstrom] for KCuZrTe[sub 3] (T = 113 K). From photographs taken at room temperature the cell parameters for KCuHfS[sub 3] are a = 3.70(6), b = 14.24(2), and c = 9.86(5) [Angstrom]. The structures of the KCuZrQ[sub 3] compounds have been determined from single-crystal X-ray methods. The KCuZrQ[sub 3] structure is composed of [sup 2][sub [infinity]][CuZrQ[sub 3][sup [minus]]] layers separated by K[sup +] cations that are coordinated by eight atoms in a bicapped trigonal prismatic arrangement. The Cu atoms are tetrahedrally coordinated and the Zr atoms are octahedrally coordinated by Q atoms. Within the [sup 2][sub [infinity]][CuZrQ[sub 3][sup [minus]]] layer, the tetrahedra share edges with four adjacent octahedra. The crystal structure is related to FeUS[sub 3] or its structural anti-type Pd[sub 3]Te[sub 2], with Cu atoms occupying the tetrahedral sites that remain unoccupied in the parent structures. Electrical conductivity measurements indicate that KCuZrS[sub 3] is an insulator; KCuZrSe[sub 3] undergoes a metal-to-semiconductor transition at 50 K; and KCuZrTe[sub 3] is a metal.

• OSTI ID: 7124226
• Journal Information: Journal of Solid State Chemistry; (United States), Journal Name: Journal of Solid State Chemistry; (United States) Vol. 101:2; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360101 -- Metals & Alloys-- Preparation & Fabrication
360102* -- Metals & Alloys-- Structure & Phase Studies
360104 -- Metals & Alloys-- Physical Properties
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
ALKALI METAL COMPOUNDS
CHALCOGENIDES
CHARGED PARTICLES
COHERENT SCATTERING
COPPER COMPOUNDS
CRYSTAL STRUCTURE
DIFFRACTION
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRON MICROSCOPY
IONS
MICROSCOPY
MOLECULAR STRUCTURE
PHYSICAL PROPERTIES
POTASSIUM COMPOUNDS
POTASSIUM IONS
SCANNING ELECTRON MICROSCOPY
SCATTERING
SELENIDES
SELENIUM COMPOUNDS
SPACE GROUPS
SULFIDES
SULFUR COMPOUNDS
SYNTHESIS
TELLURIDES
TELLURIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
WEISSENBERG METHOD
X-RAY DIFFRACTION
ZIRCONIUM COMPOUNDS