Synthesis and structures of the new group IV chalcogenides NaCuTiS[sub 3] and NaCuZrQ[sub 3] (Q = S, Se, Te)

Journal Article · Sun Aug 01 04:00:00 EDT 1993 · Journal of Solid State Chemistry; (United States)

DOI:https://doi.org/10.1006/jssc.1993.1251· OSTI ID:7207447

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

---

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

The new compounds NaCuTiS[sub 3] and NaCuZrQ[sub 3] (Q = S, Se, Te) have been synthesized through reaction of the elements with a Na[sub 2]Q[sub n] flux. The compounds NaCuTiS[sub 3], NaCuZrSe[sub 3], and NaCuZrTe[sub 3] crystallize in space group D[sup 16[sub 2h]]-Pnma of the orthorhombic system with four formula units in cells of dimensions a = 12.738(10), b = 3.554(3), c = 9.539(8) [angstrom] for NaCuTiS[sub 3]; a = 13.392(5), b = 3.833(1), c = 10.250(4) [angstrom] for NaCuZrSe[sub 3]; a = 14.34(4), b = 4.06(1), c = 10.93(3) [angstrom] for NaCuZrTe[sub 3] (T = 113 K). NaCuZrS[sub 3] crystallizes in space group D[sup 17[sub 2h]]-Cmcm of the orthorhombic system with four formula units in a cell of dimensions a = 3.688(1), b = 12.838(5), c = 9.726(3) [angstrom]. The structures of all four compounds have been determined by single-crystal X-ray methods. The structures are composed of [sup 2][sub [infinity]][CuMQ[sub 3][sup [minus]]] (M = Ti, Q = S; M = Zr, Q = S, Se, Te) layers separated by Na[sup +] cations. The Cu atoms are tetrahedrally coordinated and the M atoms are octahedrally coordinated. NaCuZrS[sub 3] is isostructural with the recently reported series of compounds KCuZrQ[sub 3] (Q = S, Se, Te). NaCuTiS[sub 3], NaCuZrSe[sub 3], and NaCuZrTe[sub 3] represent a new structure type with the [sup 2][sub [infinity]][CuMQ[sub 3][sup [minus]]] layer being composed of alternating pairs of CuQ[sub 4] tetrahedra and MQ[sub 6] octahedra in the [001] direction. The Na[sup +] cations are coordinated by seven chalcogen atoms in a monocapped trigonal prismatic arrangement.

• OSTI ID: 7207447
• Journal Information: Journal of Solid State Chemistry; (United States), Journal Name: Journal of Solid State Chemistry; (United States) Vol. 105:2; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
ALKALI METAL COMPOUNDS
CHALCOGENIDES
CHEMICAL PREPARATION
COHERENT SCATTERING
COPPER COMPOUNDS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
ELECTROLYTIC CELLS
LATTICE PARAMETERS
ORTHORHOMBIC LATTICES
SCATTERING
SELENIDES
SELENIUM COMPOUNDS
SODIUM COMPOUNDS
SULFIDES
SULFUR COMPOUNDS
SYNTHESIS
TELLURIDES
TELLURIUM COMPOUNDS
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
X-RAY DIFFRACTION
ZIRCONIUM COMPOUNDS