Structure of γ-Bi2Sn2O7 by high temperature powder neutron diffraction
Abstract
The compound Bi2Sn2O7 shows three polymorphic forms between room temperature and 1400 K. As a first step towards the structural characterization of this material in the present study the crystal structure of the high-symmetry γ-phase stable above 899 K has been investigated by high temperature neutron diffraction of samples prepared by solid state reactions. At 996 K this modification possesses the following parameters: cubic, space group Fd[unk]m, a = 10.7225(7) Å, V = 1232.8(2) Å3, Z = 8, Dcalc = 8.27 g cm−3.
A Rietveld analysis was performed using the structural model of pyrochlore for this phase, where the Bi3+ and Sn4+ cations occupy the Wyckoff-positions 16(c) and 16(d), respectively. The oxygen atoms O1 and O2 are distributed to the positions 48(f) and 8(a). The refinement calculations confirm this approach. The octahedral SnO16-network shows the lowest degree of distortion within the group of A2Sn2O7 pyrochlores. It is suggested that the comparatively high isotropic displacement factor of the Bi3+ cation indicates that the phase transition in this compound occurring at 899 K is primarily due to displacements of the bismuth atoms.
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Articles in the same Issue
- Coordination sequences for root lattices and related graphs
- Diffuse scattering from periodic and aperiodic crystals
- Crystal optics of D-mannitol, C6H14O6: crystal growth, structure, basic physical properties, birefringence, optical activity, Faraday effect, electro-optic effects and model calculations
- Structure of γ-Bi2Sn2O7 by high temperature powder neutron diffraction
- Crystal structure of sodium squarate trihydrate, Na2C4O4 · 3H2O
- Crystal structure determination of barium Oxalate, BaC2O4 · 3.5 H2O/D2O
- Crystal structure of N,N′-dimethyldiethylenediammonium hexafluorosilicate dihydrate, C6H16N2SiF6 · 2H2O
- Crystal structure of L-arginine perchlorate, C6H16ClN4O6
- Crystal structure of bis(L-valine nitrate), C5H12N2O5
- Crystal structure of 6,8-methanoisoquinoline-5,6,7,8-tetrahydro-7,7-dimethyl-3-(2-pyridinyl)-(6R), C17H18N2
- Crystal structure of 6,8-methanoisoquinoline-5,6,7,8-tetrahydro-7,7-dimethyl-3-(2-pyridyl)-(6R), C17H18N2
- Crystal structure of (dicyclopentadienyltetramethyldisiloxan) (dimethyl-aminodimethylsilyl-cyclopentadienylsamarium(III), C23H36NOSi3Sm
- Crystal structure of 2-acetamido-1-O-acetyl-2-deoxy-3,4:5,6-di-O-isopropylidene-D)-mannitol, C16H27NO7
- Crystal structure of (1R,2S)-N-benzyl-N-[2-(tert-butoxycarbonylamino)-1-(furan-2-yl)-1-propyl]hydroxylamine, C19H26N2O4
- Crystal structure of (bis(diphenylphosphino)methane)bromo (tricarbonyl)manganese(I) diethylether solvate, (CH2(P(C6H5)2)2)Mn(CO)3Br · (C2H5)2O
