An X-ray search for anharmonicity in indium phosphide
Abstract
Using a perfect spherical single crystal of InP, space group F[unk]3m, X-ray intensity data have been collected at 300° K. The data were processed using a least-squares refinement program, assuming a harmonic thermal vibration of atoms. The Debye-Waller factors obtained in this harmonic model are B(In) = 0.903(0.004) Å2 and B(P) = 1.147(0.08) Å2, with the residual index R = 2.24%. Then anharmonic thermal vibration was sought for and individual anharmonic thermal parameters for indium and phosphide ions were also included in the refinement process. The refined values are β(In) = −0.75(0.47) 10−16 J Å−3 and β(P) = −1.08(0.37) 10−16 J Å−3. Now the residual index is found to be R = 2.19%. Inclusion of anharmonic thermal vibration in the structure factor expression gives rise to Bijvoet differences between inverse reflections with the indices all even, in addition to Bijvoet differences between inverse reflections with the indices all odd. Excellent agreement, both in sign and magnitude of the Bijvoet inequalities, for a large number of reflections is observed in the present work.
Articles in the same Issue
- Crystal structure of a cholesterogen – cholesteryl methyl carbonate (CMC)
- An X-ray search for anharmonicity in indium phosphide
- Crystal structure and spectra of bis[p-chloro-benzoyl-di-(2-pyridyl)ketonohydrazono]uranyl
- Crystal structures of isomorphous triaquatris(3-aminobenzoato-O, O)yttrium(III) trihydrate and triaquatris(3-aminobenzoato-0,0)lanthanide(III) trihydrate
- Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate
- Structural phase transition in GaMo4Se8 and AlMo4S8 by X-ray powder diffraction
- The crystal structure of Ce4Ru3
- Allowance for Debye scattering in Wilson-plot least-squares procedures
- The (1:1) adducts of (2,4-dichlorophenoxy)acetic acid with 4-aminobenzoic acid and triphenylphosphine oxide *
- Molecular and crystal structure of a terminally-blocked Aib homotetrapeptide *
- Molecular and crystal structure of Nα-benzyloxycarbonyl-l-proline amide *
- Schwingungsspektroskopische Untersuchungen an SiO2-Clathraten
- Liebauite, Ca3Cu5Si9O26: A new silicate mineral with 14er single chain
- The crystal and molecular structure of tramazoline hydrochloride monohydrate, C13H18N3+Cl−·H2O
- Crystal structure of sphagnum acid, C11H10O5
- High resolution X-ray investigations on the supersatellite reflections of Labradorite
- The crystal structure of di(5-amino-3-thione-l,2,4-dithiazole)-tris-thiocyanatobismuthate (III), (C2H2N2S3)2Bi(SCN)3 determined at 100 K
- The structure type of ludwigite
Articles in the same Issue
- Crystal structure of a cholesterogen – cholesteryl methyl carbonate (CMC)
- An X-ray search for anharmonicity in indium phosphide
- Crystal structure and spectra of bis[p-chloro-benzoyl-di-(2-pyridyl)ketonohydrazono]uranyl
- Crystal structures of isomorphous triaquatris(3-aminobenzoato-O, O)yttrium(III) trihydrate and triaquatris(3-aminobenzoato-0,0)lanthanide(III) trihydrate
- Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate
- Structural phase transition in GaMo4Se8 and AlMo4S8 by X-ray powder diffraction
- The crystal structure of Ce4Ru3
- Allowance for Debye scattering in Wilson-plot least-squares procedures
- The (1:1) adducts of (2,4-dichlorophenoxy)acetic acid with 4-aminobenzoic acid and triphenylphosphine oxide *
- Molecular and crystal structure of a terminally-blocked Aib homotetrapeptide *
- Molecular and crystal structure of Nα-benzyloxycarbonyl-l-proline amide *
- Schwingungsspektroskopische Untersuchungen an SiO2-Clathraten
- Liebauite, Ca3Cu5Si9O26: A new silicate mineral with 14er single chain
- The crystal and molecular structure of tramazoline hydrochloride monohydrate, C13H18N3+Cl−·H2O
- Crystal structure of sphagnum acid, C11H10O5
- High resolution X-ray investigations on the supersatellite reflections of Labradorite
- The crystal structure of di(5-amino-3-thione-l,2,4-dithiazole)-tris-thiocyanatobismuthate (III), (C2H2N2S3)2Bi(SCN)3 determined at 100 K
- The structure type of ludwigite
