International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shumeli

International Tables for Crystallography (2010). Vol. B, ch. 3.1, p. 406   | 1 | 2 |

Section 3.1.9. Planes

D. E. Sandsa*

aDepartment of Chemistry, University of Kentucky, Chemistry–Physics Building, Lexington, Kentucky 40506–0055, USA
Correspondence e-mail: sands@pop.uky.edu

3.1.9. Planes

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Among several ways of characterizing a plane in a general rectilinear coordinate system is a description in terms of the coordinates of three non-collinear points that lie in the plane. If the points are U, V and W, lying at the ends of vectors u, v and w, the vectors [{\bf u} - {\bf v}], [{\bf v} - {\bf w}] and [{\bf w} - {\bf u}] are in the plane. The vector[{\bf z} = ({\bf u} - {\bf v}) \wedge ({\bf v} - {\bf w}) \eqno(3.1.9.1)]is normal to the plane. Expansion of (3.1.9.1)[link] yields[{\bf z} = ({\bf u} \wedge {\bf v}) + ({\bf v} \wedge {\bf w}) + ({\bf w} \wedge {\bf u}). \eqno(3.1.9.2)]Making use of (3.1.7.1)[link],[{\bf z} = \varepsilon_{ijk} (u^{\,j} v^{k} + v^{\,j} w^{k} + w^{\,j} u^{k}) {\bf a}^{i}. \eqno(3.1.9.3)]If now x is any vector from the origin to the plane, [{\bf x} -{\bf u}] is in the plane, and[({\bf x} - {\bf u}) \cdot {\bf z} = 0. \eqno(3.1.9.4)]From (3.1.9.2)[link],[{\bf u} \cdot {\bf z} = {\bf u} \cdot {\bf v} \wedge {\bf w}. \eqno(3.1.9.5)]Rearrangement of (3.1.9.4)[link] with [{\bf x} \cdot {\bf z}] on the left and [{\bf u} \cdot {\bf z}] on the right, and using (3.1.9.3)[link] for z on the left leads to[\varepsilon_{ijk} x^{i} (u^{\,j} v^{k} + v^{\,j} w^{k} + w^{\,j} u^{k}) = \varepsilon_{ijk} u^{i} v^{\,j} w^{k}. \eqno(3.1.9.6)]If, in particular, the points are on the coordinate axes, their designations are [[u^{1}, 0, 0]], [[0, v^{2}, 0]] and [[0, 0, w^{3}]], and (3.1.9.6)[link] becomes[x^{1}/u^{1} + x^{2}/v^{2} + x^{3}/w^{3} = 1, \eqno(3.1.9.7)]which may be written[x^{i} h_{i} = 1 \eqno(3.1.9.8)]or[{\bf x} \cdot {\bf h} = 1 \eqno(3.1.9.9)]in which the vector h has coordinates[{\bf h} = (1/u^{1}, 1/v^{2}, 1/w^{3}). \eqno(3.1.9.10)]That is, the covariant components of h are given by the reciprocals of the intercepts of the plane on the axes. The vector h is normal to the plane it describes (Sands, 1982a[link]) and the length of h is the reciprocal of the distance d of the plane from the origin; i.e.,[h = 1/d. \eqno(3.1.9.11)]

If the indices [h_{i}] are relatively prime integers, the theory of numbers tells us that the Diophantine equation (3.1.9.8)[link] has solutions [x^{i}] that are integers. Points whose contravariant components are integers are lattice points, and such a plane passes through an infinite number of lattice points and is called a lattice plane. Thus, the [h_{i}] for lattice planes are the familiar Miller indices of crystallography.

Calculations involving planes become quite manageable when the normal vector h is introduced. Thus, the distance l from a point P with coordinates [p^{i}] to a plane characterized by h is[l = (1 - {\bf p} \cdot {\bf h})/h, \eqno(3.1.9.12)]where a negative sign indicates that the point is on the opposite side of the plane from the origin.

The dihedral angle [\tau] between planes with normals h and [{\bf h}'] is[\tau = \cos^{-1} [-{\bf h} \cdot {\bf h}'/(hh')]. \eqno(3.1.9.13)]A variation of (3.1.9.13)[link] expresses [\tau] in terms of vector u in the first plane, vector w in the second plane, and vector v, the intersection of the planes, as (Shmueli, 1974[link])[\tau = \cos^{-1} [({\bf u} \wedge {\bf v}) \cdot ({\bf v} \wedge {\bf w})/|{\bf u} \wedge {\bf v}| |{\bf v} \wedge {\bf w}|]. \eqno(3.1.9.14)]

A similar calculation gives angles of torsion. Let [{\bf t}_{h}] and [{\bf u}_{h}] be, respectively, the projections of vectors t and u onto the plane with normal h.[\eqalignno{ {\bf t}_h &= {\bf t} - ({\bf t} \cdot {\bf h}){\bf h}/h^{2} &(3.1.9.15)\cr {\bf u}_h &= {\bf u} - ({\bf u} \cdot {\bf h}){\bf h}/h^{2}. &(3.1.9.16)}%(3.1.9.16)]The angle between [{\bf t}_{h}] and [{\bf u}_{h}] represents a torsion about h (Sands, 1982b[link]). Another approach to the torsion angle, which gives equivalent results (Shmueli, 1974[link]), is to compute the angle between [{\bf t} \wedge {\bf h}] and [{\bf u} \wedge {\bf h}] using (3.1.8.3)[link].

References

Sands, D. E. (1982a). Vectors and Tensors in Crystallography. Reading: Addison Wesley. Reprinted (1995) Dover Publications.
Sands, D. E. (1982b). Molecular geometry. In Computational Crystallography, edited by D. Sayre, pp. 421–429. Oxford: Clarendon Press.
Shmueli, U. (1974). On the standard deviation of a dihedral angle. Acta Cryst. A30, 848–849.








































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