The crystal structure of antimony selenide, Sb<sub>2</sub>Se<sub>3</sub>

Voutsas, G. P.; Papazoglou, A. G.; Rentzeperis, P. J.; Siapkas, D.

doi:10.1524/zkri.1985.171.14.261

Cited by 28 publications

(50 citation statements)

References 4 publications

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“…In the structures of BiSCl, BiSBr, SbSel (Voutsas and Rentzeperis, 1980;1984) and SbTel (Papazoglou and Rentzeperis, 1983) the Sb and Bi atoms are seven-coordinated, with the coordinating atoms forming a composite polyhedron. In the structures of Sb 2 Se 2 (Voutsas, Papazoglou, Rentzeperis and Siapkas, 1985), As 2 Te 3 , As 5 Te 7 I Brought to you by | New York University Bobst Library Technical Service Authenticated Download Date | 6/11/15 10:51 PM (Stergiou and Rentzeperis,198S) on the other hand, the coordination polyhedra are both octahedra and composite polyhedra, similar to the previous one. Finally, in the structure of As 2 Se 3 there are two distinct composite polyhedra similar to the ones met in all the above structures.…”

Section: Description Of the Structure And Discussionsupporting

confidence: 64%

Crystal structure of bismuth selenochloride, BiSeCl

Voutsas¹,

Rentzeperis²

1986

Zeitschrift Für Kristallographie - Crystalline Materials

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The crystal structure of BiSeCl has been determined with 667 independent reflections, using three-dimensional intensities. The cell constants, obtained by least-squares calculation from direct 0-value measurements on the diffractometer, are: a = 8.0787(8), b = 9.3046(6), c = 4.2182(4) Ä with Ζ = 4 formula units per unit cell; the space group is Prwan. The positional and vibrational parameters, with anisotropic temperature factors, were refined by full-matrix least-squares calculations to a final R = 0.032.Each Bi atom is six-coordinated by three Se atoms at distances 2.727-2.855 Ä and three CI atoms at distances 2.899-3.186 A. Two of the Se atoms and two CI atoms form a parallelogram parallel to c, with the remaining atoms occupying the apices of the pyramids formed on either side of this parallelogram. The coordination polyhedron is linked to a symmetry-equivalent polyhedron by a common Se-Se edge. This characteristic double-polyhedron system is repeated along the c axis, thus forming an infinite double chain of composition {Bi 2 Se4Cl 6 } n · The chain is further linked to each of four similar chains by a common (CI-Cl)"-row parallel to c. The structure constitutes a new type within the group of compounds of the general formula A^BjfC^1 1 , with A = As, Sb, Bi; Β = S, Se, Te; C = CI, Br, I.

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Section: Description Of the Structure And Discussionsupporting

confidence: 64%

Crystal structure of bismuth selenochloride, BiSeCl

Voutsas¹,

Rentzeperis²

1986

Zeitschrift Für Kristallographie - Crystalline Materials

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“…Sb2S3 and Sb2Se3, a member of compounds with the general formula to the orthorhombic Sb2S3 and Sb2Se3 have been obtained from experimental data [13][14][15].…”

Section: Introductionmentioning

confidence: 99%

First principles prediction of the elastic, electronic, and optical properties of Sb2S3 and Sb2Se3 compounds

Koç

Mamedov

Deligöz

et al. 2012

Solid State Sciences

143

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We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 compounds. The calculations have been carried out within the local density approximation using norm conserving pseudopotentials. The lattice parameters, bulk modulus, and its pressure derivatives of the these compounds have been obtained. The second-order elastic constants have been calculated, and the other related quantities such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocities and Debye temperature have also been estimated in the present work. The linear photon-energy dependent dielectric functions and some optical properties such as the energy-loss function, the effective number of valance electrons and the effective optical dielectric constant are calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.we submit our manuscript " First principles prediction of the elastic, electronic, and optical properties of Sb 2 S 3 and Sb 2 Se 3 compounds". This manuscript is original and has not been published elsewhere and their intent is to publish in the Solid State Sciences. Cover LetterDear Editor, Thank you for your useful comments and suggestions on the language and structure of our manuscript. We have modified the manuscript accordingly, and detailed corrections are listed below point by point: 1) Please improve the clarity of letters used in figures 1 and 4. the clarity of letters used in figures 1 and 4 have been improved.2. Graphical abstract should be provided with figure only; the use of text will be allowed only when there is no alternative.  Graphical abstract have been provided with figure only.3.The tel/fax numbers (with country and area code)of the corresponding author should be provided on the first page of the manuscript.  On the first page of the manuscript have been provided the tel/fax numbers of the corresponding author.4. Page should be numbered consecutively.  Page have been numbered. Responses to Technical Check Results *Graphical Abstract

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“…The former are often noncentrosymmetric and typically exhibit Ge IV Se 4 tetrahedra (e.g., Sr 2 GeSe 4 [22], KLaGeSe 4 [23], K 2 Hg 3 Ge 2 Se 8 [24]), but trivalent (Sr 2 Ge 2 Se 5 ) and divalent Ge selenides ðBa 2 Ge 2 Se 5 Þ are known as well [25]. Much more seleno-antimonates exist, which typically show irregular Se coordination of the Sb III atoms [2,26], comparable to Sb 2 Se 3 [27]. Arguably the compound most comparable to the title compound Ba 4 LaGe 3 SbSe 13 is the noncentrosymmetric quaternary silicon antimony selenide Ba 4 SiSb 2 Se 11 [28] that shows only little structural resemblance, if any.…”

Section: Introductionmentioning

confidence: 99%