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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

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Volume 209, Issue 11


Crystal growth and crystal structure of arsenicv ditelluroidide semihydrate, AsTe2I · 0.5 H2O

A. C. Stergiou
Published Online: 2010-07-28 | DOI: https://doi.org/10.1524/zkri.1994.209.11.858


Single crystals of arsenicv ditelluroidide semihydrate, AsTe2I · 0.5 H2O(Fw = 466.033), were prepared hydrothermally. The crystal structure was determined from the intensities of 501 independent reflections, measured on a computer-controlled single-crystal diffractometer (Philips PW 1100), with MoKα radiation (λ = 0.71069 Å). The cell constants at 293 K, refined by least-squares, are a = b = 7.221(1) Å, c = 21.478(7) Å, Z = 6, space group R3. The density values are ϱmeas = 4.6 g · cm−3 and ϱcalc = 4.786 g · cm−3.

Solution of the structure was performed by Patterson methods combined with successive Fourier syntheses. The positional and anisotropic thermal parameters were refined by full-matrix least-squares calculations. All reflections were corrected for absorption (μ = 177.365 cm−1) and values for anomalous dispersion used to all non hydrogen atoms. Refinement converged to R = 0.051 and Rw = 0.050.

The As atoms are surrounded by six [Te, I] atoms, three with shorter and three with longer distances, forming strongly distorted octahedra. Each of the As(1) octahedra is linked with three As(2) octahedra by common edges [Te, I](1)–[Te, I](2), and vice versa, forming an infinite band perpendicular to the c axis. In each unit cell are three parallel bands, an arrangement analogous to AsI3. The water molecules are enclosed between successive bands. The bands are connected by hydrogen bonds.

About the article

Published Online: 2010-07-28

Published in Print: 1994-11-01

Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 209, Issue 11, Pages 858–860, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.1994.209.11.858.

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