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Reciprocal Lattice

Reciprocal Lattice Calculations

Here is the list of functions related to the reciprocal lattice calculations that are provided by the "Neutron Scattering" XOP:

STLcubic(h, k, l, a)

The STLcubic function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of a cubic system. a is the length of the cell edges in Å. The expression is extracted from the International Tables for Crystallography (Vol. C):

STLhexagonal(h, k, l, a, c)

The STLhexagonal function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of a hexagonal system. a and c are the lengths of the cell edges in Å. The expression is extracted from the International Tables for Crystallography (Vol. C):

STLrhombohedral(h, k, l, a, alpha)

The STLrhombohedral function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of a STLrhombohedral system. a and alpha are the length of the cell edges in Å and the interaxial angle in degrees. The expression is extracted from the International Tables for Crystallography (Vol. C):

STLtetragonal(h, k, l, a, c)

The STLtetragonal function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of a tetragonal system. a and c are the lengths of the cell edges in Å. The expression is extracted from the International Tables for Crystallography (Vol. C):

STLorthorhombic(h, k, l, a, b, c)

The STLorthorhombic function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of an orthorhombic system. a, b and c are the lengths of the cell edges in Å. The expression is extracted from the International Tables for Crystallography (Vol. C):

STLmonoclinicB(h, k, l, a, b, c, beta)

The STLmonoclinicB function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of a monoclinic system (b-unique setting). a, b and c are the lengths of the cell edges in Å and beta is the interaxial angle in degrees (≠90°). The expression is extracted from the International Tables for Crystallography (Vol. C):

STLmonoclinicC(h, k, l, a, b, c, gamma)

The STLmonoclinicC function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of a monoclinic system (c-unique setting). a, b and c are the lengths of the cell edges in Å and gamma is the interaxial angle in degrees (≠90°). The expression is extracted from the International Tables for Crystallography (Vol. C).

STLtriclinic(h, k, l, a, b, c, alpha, beta, gamma)

The STLmonoclinicC function returns the value Sin(Theta)/Lambda = 1/2.d[hkl] in Å-1 for the reflection [h, k, l] of a monoclinic system (c-unique setting). a, b, c are the lengths of the cell edges in Å and alpha, beta, gamma are the interaxial angle in degrees. The expression is extracted from the International Tables for Crystallography (Vol. C):