Fig. 3: 2 × 2 × 2 CO superstructure revealed by SCXRD experiments on sample #2. | Nature Communications

Fig. 3: 2 × 2 × 2 CO superstructure revealed by SCXRD experiments on sample #2.

From: Discovery of a long-ranged charge order with 1/4 Ge1-dimerization in an antiferromagnetic Kagome metal

Fig. 3

a, b Diffraction patterns along the a-, b-, and c-axes of sample #2 at 300 K and 85 K, respectively. New spots appear at 85 K and signal a structural modulation with a wave vector of (−0.5, 0.5, 0.5). c, d Refined crystal structures at 300 K and 85 K, respectively. 1/4 of Ge1 atoms in the Kagome layers show a large dimerization (~0.7 Å) along the c-axis and the other atoms undergo small distortions, which doubles the lattice in all three lattice directions. The dashed magenta circles indicate the positions of Ge1 atoms before dimerization, the black arrows show the directions of Ge1 movement.

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