Notation for indexing a crystal direction

In summary, lattice vectors and directions are two different concepts in crystallography. Lattice vectors are true vectors in the direct lattice and are indexed by their components, while lattice directions are indexed by dividing through by common factors and given in simplest whole number ratios. The term "zone axis" specifically refers to a direction in the direct lattice, and is written the same way as a lattice vector in the form [UVW], with U, V, and W being integers. The difference between lattice directions and vectors is that vectors have a magnitude that can be shown by prefixing them with a constant. This convention is also used in official references.
  • #1
etotheipi
Given a crystal basis ##\{\vec{a}, \vec{b}, \vec{c} \}##, the two lattice vectors ##\vec{r}_1 = u_1 \vec{a} + u_2 \vec{b} + u_3 \vec{c}## and ##\vec{r}_2 = 2u_1\vec{a} + 2u_2 \vec{b} + 2u_3 \vec{c}## both obviously point in the same direction whilst ##\vec{r}_2## is twice as long as ##\vec{r}_1##. However, some people drop the common factors and index both as ##[111]##, whilst others seem to keep the common factors and index them as ##[111]## and ##2[111]## respectively.

So, regarding this [...] notation, does it represent a direction or a vector?
 
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  • #2
Those are (probably?) Miller indexes. If that's the case, [111] represents a plane perpendicular to your ##\vec{r}_1##. Using the indexes to represent vectors and writing something like 2[111] seems like abuse of notation but I'm definitely no crystallographer.

https://en.wikipedia.org/wiki/Miller_index
 
  • #3
Twigg said:
Those are (probably?) Miller indexes. If that's the case, [111] represents a plane perpendicular to your ##\vec{r}_1##. Using the indexes to represent vectors and writing something like 2[111] seems like abuse of notation but I'm definitely no crystallographer.

https://en.wikipedia.org/wiki/Miller_index

As far as I'm aware, planes are indexed by round brackets, e.g. ##(hkl)##, whilst directions are indexed by square brackets, e.g. ##[uvw]##. Usually it is the ##hkl## that are referred to as Miller indices.

But the ##(hkl)## plane is orthogonal to the reciprocal vector ##h \vec{a}^* + k \vec{b}^* + l\vec{c}^*##. In a simple cubic system, the reciprocal basis equals the direct basis so it turns out that the ##[hkl]## direction in real space is orthogonal to the ##(hkl)## plane for a cubic system only.
 
  • #4
You're right, I mistakenly thought that [hkl] referred to a plane in the direct lattice, when it really refers to a direction in the direct lattice. Per your question, the wikipedia article seems insistent on [hkl] being a direction, not a vector. Personally, I can see why you might want to abuse notation and talk about [222] = 2[111] for something like, next-nearest neighbors effects. I think context is the key here.
 
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  • #5
I think I've found an answer! Essentially, a 'lattice vector' and a 'lattice direction (or zone axis)' are two slightly different concepts. The lattice vector is a true vector in the sense of linear algebra and is simply indexed with its components in the usual way, whilst a lattice direction is indexed by dividing through by common factors and given in the simplest whole number ratio:

The term zone axis, more specifically, refers to only the direction of a direct-space lattice vector. For example, since the [120] and [240] lattice vectors share a common direction, their orientations both correspond the [120] zone of the crystal. Just as a set of lattice-planes in direct-space corresponds to a reciprocal-lattice vector in the complementary-space of spatial-frequencies and momenta, a "zone" is defined as a set of reciprocal-lattice planes in frequency-space that corresponds to a lattice-vector in direct-space.

(https://en.wikipedia.org/wiki/Zone_axis)

Lattice directions are written the same way as lattice vectors, in the form [UVW]. The direction in which the lattice vector is pointing is the lattice direction. The difference between lattice directions and lattice vectors is that a lattice vector has a magnitude which can be shown by prefixing the lattice vector with a constant. By convention U, V and W are integers.

(https://www.doitpoms.ac.uk/tlplib/crystallography3/parameters.php)

Also an official reference here:
https://journals.aps.org/pre/authors/crystallographic-notation-h1
 
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1. What is notation for indexing a crystal direction?

The notation for indexing a crystal direction is a way of describing the orientation of a crystal based on its lattice structure. It is commonly used in crystallography and mineralogy to identify and communicate the orientation of crystals.

2. Why is notation for indexing a crystal direction important?

Notation for indexing a crystal direction is important because it allows scientists to accurately describe and communicate the orientation of crystals. This information is crucial for understanding the properties and behavior of crystals in various applications, such as in materials science and geology.

3. What are the different types of notation for indexing a crystal direction?

There are several types of notation for indexing a crystal direction, including Miller indices, Miller-Bravais indices, and zone notation. Each type has its own specific rules and conventions for representing crystal directions.

4. How do you determine the notation for indexing a crystal direction?

The notation for indexing a crystal direction is determined by identifying the crystallographic planes and directions within the crystal lattice. These planes and directions are represented by numerical values, which are then combined to form the notation for the crystal direction.

5. Can the notation for indexing a crystal direction be used for all types of crystals?

Yes, the notation for indexing a crystal direction can be used for all types of crystals, as long as they have a defined lattice structure. This includes both natural and synthetic crystals, such as minerals, metals, and semiconductors.

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