International
Tables for
Crystallography
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 3.6, p. 296

Table 3.6.2 

M. Leonia*

aDepartment of Civil, Environmental and Mechanical Engineering, University of Trento, via Mesiano 77, 38123 Trento, Italy
Correspondence e-mail: Matteo.Leoni@unitn.it

Table 3.6.2| top | pdf |
Models for antiphase domain boundaries for the Cu3Au case

N = h2 + k2 + l2.

IDModelf(h, k, l)
1 Random 2/3
2 {100} planes [\displaystyle {2 \over 3}{{h + k + l} \over {\sqrt N}}]
2.I {100} planes, no Au–Au contacts [(k + l)/{\sqrt N}] if h is the unpaired index
[(h + l)/{\sqrt N}] if k is the unpaired index
[(h + k)/{\sqrt N}] if l is the unpaired index
2.II {100} planes, only Au–Au contacts [\displaystyle {{2h + k + l} \over {2\sqrt N }}] if h is the unpaired index
[\displaystyle {{h + 2k + l} \over {2\sqrt N }}] if k is the unpaired index
[\displaystyle {{h + k + 2l} \over {2\sqrt N }}] if l is the unpaired index
3 {110} planes [\displaystyle {2 \over 3}{{4h + 2k} \over {\sqrt {2N} }}]
3.I {110} planes, Au displacement parallel or perpendicular to plane normal [\displaystyle {{4h} \over {\sqrt {2N} }}] if h is the unpaired index
[\displaystyle {{2h + 2k} \over {\sqrt {2N} }}] otherwise
3.II {110} planes, Au displacement at 60° to plane normal [\displaystyle {{2h + 2k} \over {\sqrt {2N} }}] if h is the unpaired index
[\displaystyle {{3h + k} \over {\sqrt {2N} }}] otherwise
4 {111} planes [\displaystyle {{8h} \over {3\sqrt {3N} }}] if h ≥ (k + l)
[\displaystyle {{4(h + k + l)} \over {3\sqrt {3N} }}] otherwise