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High-order thermal-motion tensor analyses of tridymite
Veröffentlicht/Copyright:
25. August 2010
Abstract
Two least-squares methods based on the Gram-Charlier expansion and the Edgeworth expansion were applied to a test structure to examine their usefulness in analysing multimodal density distribution of atoms. The Gram-Charlier expansion was more successful to reproduce the test structure than the Edgeworth expansion.
The least-squares method based on the Gram-Charlier expansion was applied to the high temperature forms of tridymite to analyse density distribution of O atoms. The obtained density distribution of O was concave and nearly concentric at both 693 and 733 K (hexagonal), but clearly bimodal, at 493 K (orthorhombic), with the mean positions of low densities.
Published Online: 2010-8-25
Published in Print: 1986-1-1
© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München
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- The crystal structure of β-Mg2PO4OH, a synthetic hydroxyl analogue of wagnerite
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- (Z) phényl-1 diéthylaminocarbonyl-1 aminométhyl-2 cyclopropane (Midalcipran): Etude structurale comparative des variétés Cis, Trans I et Trans II
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- Orientational disorder in cubic CsNO2 by neutron powder diffraction
- π-character of C(phenyl) – N(amide) bonds in acetanilides and C(phenyl) – C(keto) bonds in acetophenones
- Crystal structure and chirality of sodium tetrathionate dihydrate, Na2S4O6 · 2H2O
- Crystal structure of bismuth selenochloride, BiSeCl
- Crystal growth and physical properties of l-glutamic acid halides, l-c5H9NO4 · HX (X = Cl, Br, I)
- Third-order elastic constants of cubic NaBrO3, Na3SbS4 · 9H2O and NaH(CH3COO)2
- Crystal structure of FePO4 at 294 and 20 K
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- Refinement of the crystal structure of tetraphosphorus decaoxide
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Artikel in diesem Heft
- The crystal structure of ε-Mg2PO4OH, a synthetic high-temperature polymorph
- The crystal structure of β-Mg2PO4OH, a synthetic hydroxyl analogue of wagnerite
- Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters
- High-order thermal-motion tensor analyses of tridymite
- The crystal structure of the room-temperature phase of AgTaO3
- The crystal structure of [(CH3)2N(CH2)2(CH2)2O]2NaAg3I6 · 2H2O*
- (Z) phényl-1 diéthylaminocarbonyl-1 aminométhyl-2 cyclopropane (Midalcipran): Etude structurale comparative des variétés Cis, Trans I et Trans II
- Crystal structure and spectra of trans-dichloro-p-chlorobenzoyldi-(2-pyridyl)ketonohydrazono antimony(III)
- Orientational disorder in cubic CsNO2 by neutron powder diffraction
- π-character of C(phenyl) – N(amide) bonds in acetanilides and C(phenyl) – C(keto) bonds in acetophenones
- Crystal structure and chirality of sodium tetrathionate dihydrate, Na2S4O6 · 2H2O
- Crystal structure of bismuth selenochloride, BiSeCl
- Crystal growth and physical properties of l-glutamic acid halides, l-c5H9NO4 · HX (X = Cl, Br, I)
- Third-order elastic constants of cubic NaBrO3, Na3SbS4 · 9H2O and NaH(CH3COO)2
- Crystal structure of FePO4 at 294 and 20 K
- Crystal structure of harstigite, MnCa6Be4[SiO4]2[Si2O7]2(OH)2
- Refinement of the crystal structure of tetraphosphorus decaoxide
- Physikalische Kristallographie“,
