The crystal structure of CuTe2Cl

Abstract

CuTe2C1 is monoclinic, space group P21/c, with a=8.207, b=4.935, c= 15.279 A, fl= 134-92 °, Z=4.722 independent intensities were measured and the structure was refined to R = 5.6 %. The basic structure unit is a pseudo-fourfold screw of Te atoms along b. The Te-Te distances in the screw are 2-737 and 2.792 A. Cu-C1-Cu links connect the screws to layers in the ab plane. The coordination of the Cu atom by Te and C1 is fourfold with the geometry of a slightly distorted tetrahedron.

CuTe2Cl Monolayer: An Unexplored 2D Hybrid Structure with the Coexistence of Remarkable Charge Separation and Visible Light Absorption

“…Interestingly, we found that the area of the parallelogram at the base of (a, c) in this work almost coincides with that at the base of (b, c) in Material Project. The results obtained here are very close to those determined in the previous experimental study (a ¼ 8.21, b ¼ 4.94, and c ¼ 15.28 Å for the lattice constants and θ 1 ¼ 90 , θ 2 ¼ 90 , θ 3 ¼ 135 for the angles), [23] which attests the reliability of our simulations. Figure 1b shows the atomic structure of the CuTe 2 Cl monolayer.…”

“…Via the reaction of stoichiometric amounts of CuCl and Te at 350 °C, the bulk CuTe 2 Cl structure has been synthesized by Fenner . On the one hand, we found that CuTe 2 Cl belongs to the family of the Cu–VII–VI compound, which is a monoclinic structure with the space group of P2 1 /c.…”

CuBrSe2: a Metastable Compound in the System CuBr / Se

“…A series of nine compounds was prepared by hydrothermal methods from the corresponding mineral acids [3]. Tellurium and the copper(I) halides form two isostructural series of com-pounds with the compositions CuXTe [4±6] and CuXTe 2 [7,8] (X = Cl, Br, I), respectively. They all contain formally neutral infinite one-dimensional (1 D) tellurium chains 1 ∞ [Te].…”

Se4CuX, Te4CuX and Cu2Se7X2 (X=GaCl4) — Coordination compounds of neutral infinite chalcogen chains

“…The Se-Se bonds in 1 range between 2.3225(4) and 2.4321(4) Å, the respective Te-Te bond lengths in 2 between 2.7070(6) and 2.8444 (6) can be regarded as stacked five-membered CuSe 4 rings alternating rotated by 180°. The conformation of these rings is for example similar to the CuTe 5 rings in CuTeI [6] and CuTe 2 Cl [7].…”