Crystal Structure and Phase Transition of Cesium Trichlorostannate(II).

Poulsen, Finn Reibke; Rasmussen, Svend Erik; Haaland, Arne; Jerslev, Bodil; Schäffer, Claus Erik; Sunde, Erling; Sørensen, Nils Andreas

doi:10.3891/acta.chem.scand.24-0150

Cited by 70 publications

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“…The transition from the cubic high temperature phase to the tetragonal phase II is -as in the system C sPbB r3 [20,21], too -of first order and of tilting type. It is connected with a soft mode condensation [5], Following transitions to low tem perature phases result in orthorhom bic unit cells (CsPbCl3, C sPbB r3 [5,21]), and monoclinic phases have been observed, too (CsSnCl3 [22]). …”

Section: Introductionmentioning

confidence: 99%

²⁰⁷Pb and ²⁰⁵Tl NMR on Perovskite Type Crystals APbX₃ (A = Cs, Tl, X = Br, I)

Sharma

Weiden

Weiß

1987

Zeitschrift Für Naturforschung A

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Section: Introductionmentioning

confidence: 99%

²⁰⁷Pb and ²⁰⁵Tl NMR on Perovskite Type Crystals APbX₃ (A = Cs, Tl, X = Br, I)

Sharma

Weiden

Weiß

1987

Zeitschrift Für Naturforschung A

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“…The first type of environment is found in CsSnC13 (Poulsen & Rasmussen, 1970), NaSn2F5 (McDonald, Larson & Cromer, 1964), KSn(HCO2)3 (Jelen &Linquist, 1969), KC1. KSnCI3.…”

Section: Introductionmentioning

confidence: 99%

The crystal structure of disodium bisoxalatostannate(II), Na₂Sn(C₂O₄)₂

Donaldson¹,

Donoghue²,

Smith³

1976

Acta Crystallogr Sect B

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The crystal structure of the title compound has been determined from single-crystal X-ray diffraction data by Patterson and Fourier methods. Crystals are monoclinic, space group C2/c with Z= 4 in a unit cell of dimensions a= 10"422 (8), b = 5.676 (4), c= 13.618 (7) A,, fl= 108"50 (5) °. The structure was refined by least-squares methods to R 0.071 for 1193 reflexions. The oxalates are equivalent and are chelated to Sn through one oxygen on each carbon atom to give one Sn-O bond of 2.25 and one of 2.36 A,. The tin atoms are in distorted pyramidal sites surrounded by two oxygen atoms at 2.25 and two at 2.36 A.

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“…Experimentally, the bond lengths of Sn-Cl in a pyramid are 2.50, 2.52, and 2.55Å, respectively. 22 However, in our relaxed crystal structure, the bond lengths of Sn-Cl in a pyramid are 2.50, 2.55, and 2.66Å, and are thus slightly overestimated for the longer bonds, which is a little surprising because LDA tends to do the opposite.…”

Section: A Lattice Parametersmentioning

confidence: 59%

“…We start the (crystal) structural relaxation from the experimental crystal structure by Poulsen et al 22 which showed that the space group of the M -CsSnCl 3 is P 2 1 /c, or C 5 2h or No. 14 according to the International Tables for Crystallography.…”

Section: A Lattice Parametersmentioning

confidence: 99%

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First-principles calculations of phonons and Raman spectra in monoclinicCsSnCl3

Huang

Lambrecht

2015

Phys. Rev. B

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Density functional perturbation theory is used to calculate the phonons at the zone center for monoclinic CsSnCl3. We report the calculated normal mode frequencies classified according to irreducible representations for both infrared active and Raman active modes. We also report the dielectric constants and Born effective charges and investigate the anisotropy of the non-analyticities near the zone center. The first-principles calculated Raman active phonon frequencies and simulated Raman spectra are compared with experimental results from literature. We find that besides the first-order allowed Raman modes of Ag and Bg symmetry, forbidden LO Raman modes appear prominently in the measured spectra. Several of these modes are close to or coincide with allowed modes and alter their intensity, while others appear as separate otherwise unexplained peaks. With this interpretation, good agreement is obtained with experimental mode frequencies to within a few cm −1 .

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Crystal Structure and Phase Transition of Cesium Trichlorostannate(II).

Cited by 70 publications

References 0 publications

²⁰⁷Pb and ²⁰⁵Tl NMR on Perovskite Type Crystals APbX₃ (A = Cs, Tl, X = Br, I)

²⁰⁷Pb and ²⁰⁵Tl NMR on Perovskite Type Crystals APbX₃ (A = Cs, Tl, X = Br, I)

The crystal structure of disodium bisoxalatostannate(II), Na₂Sn(C₂O₄)₂

First-principles calculations of phonons and Raman spectra in monoclinicCsSnCl3

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Crystal Structure and Phase Transition of Cesium Trichlorostannate(II).

Cited by 70 publications

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207Pb and 205Tl NMR on Perovskite Type Crystals APbX3 (A = Cs, Tl, X = Br, I)

207Pb and 205Tl NMR on Perovskite Type Crystals APbX3 (A = Cs, Tl, X = Br, I)

The crystal structure of disodium bisoxalatostannate(II), Na2Sn(C2O4)2

First-principles calculations of phonons and Raman spectra in monoclinicCsSnCl3

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²⁰⁷Pb and ²⁰⁵Tl NMR on Perovskite Type Crystals APbX₃ (A = Cs, Tl, X = Br, I)

²⁰⁷Pb and ²⁰⁵Tl NMR on Perovskite Type Crystals APbX₃ (A = Cs, Tl, X = Br, I)

The crystal structure of disodium bisoxalatostannate(II), Na₂Sn(C₂O₄)₂