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

International Tables for Crystallography (2006). Vol. B. ch. 1.2, p. 21

Table 1.2.11.1 

P. Coppensa*

aDepartment of Chemistry, Natural Sciences & Mathematics Complex, State University of New York at Buffalo, Buffalo, New York 14260-3000, USA
Correspondence e-mail: coppens@acsu.buffalo.edu

Table 1.2.11.1| top | pdf |
The arrays [G_{ijkl}] and [H_{ijkl}] to be used in the observational equations [U_{ij} = G_{ijkl} L_{kl} + H_{ijkl} S_{kl} + T_{ij}] [equation (1.2.11.9)[link]]

[G_{ijkl}]

ij kl
112233233112
11 0 [z^{2}] [y^{2}] [-2yz] 0 0
22 [z^{2}] 0 [x^{2}] 0 [-2xz] 0
33 [y^{2}] [x^{2}] 0 0 0 [-2xy]
23 yz 0 0 [-x^{2}] xy xz
31 0 xz 0 xy [-y^{2}] yz
12 0 0 xy xz yz [-z^{2}]

[H_{ijkl}]

ij kl
112233233112321321
11 0 0 0 0 [-2y] 0 0 0 2z
22 0 0 0 0 0 [-2z] 2x 0 0
33 0 0 0 [-2x] 0 0 0 2y 0
23 0 x x 0 0 y 0 z 0
31 y 0 y z 0 0 0 0 x
12 z z 0 0 x 0 y 0 0