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Figure 14
Result page of IDENTIFY MAGNETIC GROUP for the symmetry operations of the MSG Pc31c (No. 159.64) of the magnetic structure of Ba3Nb2NiO9, described using a unit cell (3a, 3b, 2c) with respect to the parent unit cell (a, b, c) of its paramagnetic [P\bar{3}m1] (No. 164) phase, and the same origin, as shown in Fig. 10[link], and corresponding to the fifth subgroup of [P\bar{3}m1.1^{\prime}] (No. 164.86) listed in Fig. 8[link]. In addition to the identification of the MSG from the symmetry operators, the program also calculates the basis transformation matrix to the standard setting. The equivalency and hence the validity of the transformation matrix relating the parent unit cell and the current unit cell can be checked via the `Check an alternative Transformation Matrix' option, as also shown in the figure.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 81| Part 2| April 2025| Pages 181-191
https://doi.org/10.1107/S2052520625000277
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