A quantitative modelling of the disorder phenomena in layered NbS
is presented. The polytypes 2H and 3R are considered and the variations of the intensity profiles for their transformations into each ...other are calculated in terms of a one-dimensional disorder model.
The intercalation reaction of hydrated K
ions into the layered structure of 2H-NbS
was studied using in situ X-ray diffraction. A structurally complex intercalation mechanism was observed showing ...several highly one-dimensionally disordered intercalated phases. A quantitative modelling of the disorder in K
(H
O)
NbS
is presented allowing a complete understanding of the intercalation mechanism.
The rutile/corundum structural transformation which is based on crystallographic shear is discussed in terms of a one‐dimensional disorder model. The transformation process is described by a simple ...model based on the structural relationship between the rutile‐type and corundum‐type phases. The model is able to handle randomly spaced crystallographic shear planes, the so‐called Wadsley defects, as well as clustered CS planes. Calculations hsow that simply modifying the probability parameters of the model can lead to phase segregation. X‐ray powder diffraction patterns are calculated for the proposed transformation mechanism as a function of the stoichiometry x in MO2−x in order to show the influence of such defects on the intensities and linewidths of the Bragg reflections.
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The structures of the Magnéli-phases V
(3 ≤
≤ 7) are reviewed with respect to their structural relationships to rutile-type VO
. The general expressions for the transformation matrices
and
=
are ...derived allowing the prediction of lattice parameters and atomic coordinates for hypothetical structures of V
with
≥ 8.
The new antimony oxyhalide Sb
Cl has been synthesized hydrothermally. Its crystal structure has been determined using a twinned specimen. Sb
Cl crystallizes monoclinic in
2/
,
= 9.6531 (8) Å,
= ...5.3059(3) Å,
= 5.5981(4) Å and
= 94.745(10)°. Sb
Cl consists of infinite Sb
layers parallel to (100) and interlayer Cl atoms. Twinning occurs if (100) mirror planes are inserted instead of the twofold rotation axes at the Cl positions. One-dimensional disorder including orthorhombic
micro-domains gives rise to the weak diffuse reflections along
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