Calculation of the zone axis

International Autumn School on Fundamental and

Electron Crystallography (IASFEC)
8-13 October 2017, Sofia, Bulgaria

Massimo Nespolo, Université de Lorraine, France

massimo.nespolo@univ-lorraine.fr

Massimo Nespolo, Université de Lorraine

 Notation (reminder)
uvw: coordinates of a lattice nodes in direct space
[uvw]: direction indices in direct space
uvw: set of equivalent (symmetry-related) directions in direct space
(hkl): Miller indices of a lattice plane in direct space
{hkl}: crystal form (set of crystal faces equivalent by symmetry). By
extension, also set of equivalent (symmetry-related) lattice planes in direct
space
hkl: coordinates of a lattice node in reciprocal space; also, Laue indices of
a diffraction
[hkl]*: direction indices in reciprocal space
hkl*: set of equivalent directions in reciprocal space
(hkl)*: Miller indices of a lattice plane in reciprocal space
{hkl}*: set of equivalent lattice planes in reciprocal space
Massimo Nespolo, Université de Lorraine
 Zone axis: formal definition

A zone axis is a lattice row parallel to the intersection of two (or more) families of lattices planes. It
is denoted by [u v w]. A zone axis [u v w] is parallel to a family of lattice planes of Miller indices
(hkl) if (Weiss law):

uh + vk + wl = 0

The indices of the zone axis defined by two lattice planes (h1,k1,l1), (h2,k2,l2) are given by:
u v w
 
k1 l1 l1 h1 h1 k1
k2 l2 l2 h2 h2 k2

Conversely, any crystal face can be determined if one knows two zone axes parallel to it (zone law)

Three lattice planes have a common zone axis (are in zone) if their Miller indices (h1,k1,l1), (h2,k2,l2), (h3,k3,l3)
satisfy the relation:
h1 k1 l1
h2 k2 l2  0
h3 k3 l3

Massimo Nespolo, Université de Lorraine

 Compute the zone axis

Let the Miller indices of two lattice planes be (h1,k1,l1), (h2,k2,l2).

h1 k1 l1 h1 k1 l1
h2 k2 l2 h2 k2 l2
u v w
Remove common factor, if any
+ -
Exercise: zone axis for faces (001) and (101) Exercise: zone axis for faces (231) and (362)

0 0 1 0 0 1 2 3 1 2 3 1
1 0 1 1 0 1 3 6 2 3 6 2
0 1 0 0 1 3

Low-index zone axes correspond to lattice rows parallel to several lattice planes
h1 0 l1 h1 0 l1
h2 0 l2 h2 0 l2
0 n 0
n = l1h2-l2h1
Massimo Nespolo, Université de Lorraine
 Zone axis pattern in electron diffraction

A Zone-Axis Pattern (ZAP) is observed when a high symmetry [uvw]

direction of the crystal is parallel to the incident beam.
The diffraction spots on the pattern are arranged along Laue zones.

Zero-Order Laue Zone (ZOLZ)

First-Order Laue Zone (FOLZ)

Electron beam
SOLZ
FOLZ
ZOLZ Ewald sphere

SOLZ
FOLZ
ZOLZ

Massimo Nespolo, Université de Lorraine

 Zone axis pattern in electron diffraction

Zone-Axis Pattern obtained along the [uvw] zone axis.

The diffraction pattern shows the (uvw)* reciprocal lattice plane.
This pattern is produced from direct lattice planes in the [uvw] zone, i.e.
“vertical” in the microscope and (almost) parallel to the electron beam.
If the Laue indices are known, then the indices of the zone axis are easily
obtained.

Planes in the [uvw] zone

Electron beam [uvw] zone axis

Massimo Nespolo, Université de Lorraine

 Exercise

Find the zone axis from the following 2D diffraction pattern (no intensity shown)

339 238 137 036 135 234 333 432 533 634 735 836

428 327 226 125 024 123 222 321 420 521 622 723 824

517 416 315 214 113 012 111 210 311 412 513 614 715

606 505 404 303 202 101 101 202 303 404 505 606

715 614 513 412 311 210 111 012 113 214 315 416 517

824 723 622 521 420 321 222 123 024 125 226 327 428

933 832 731 630 531 432 333 234 135 036 137 238 339

Massimo Nespolo, Université de Lorraine

 How to choose a suitable zone axis for EM?

f
Zone axes [uvw] of interest in EM
correspond to lattice plane (hkl) of small
larger interplanar distance d(hkl), i.e. of
X high reticular density, which means small
Miller indices.
e
n d(hkl) = 1/||r*(hkl)|| = (hkl|G*|hkl)1/2

SinJ/l

Massimo Nespolo, Université de Lorraine

Perpendicularity between lattice directions [uvw]
and lattice planes (hkl)
The perpendicularity between a lattice direction [uvw] and a lattice plane (hkl)
depends on the symmetry of the lattice – which on its turn depends on the
presence or absence of metric specialisation.

Lattice symmetry lattice plane lattice direction

1 --- ---
2/m (b-unique) (010) [010]

2/m 2/m 2/m (100) [100]

(010) [010]
(001) [001]
4/m 2/m 2/m (001) [001]
(hkl) [hkl]
3 2/m and 6/m 2/m 2/m (001) [001]
(hexagonal axes) (hki) [2h+k,h+2k,0]

4/m 3 2/m (hkl) [hkl]

Massimo Nespolo, Université de Lorraine