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. 2018 Jun 14;8(38):21637–21643. doi: 10.1039/c8ra03704c

Wyckoff positions, atomic coordinates, and occupancies of Cu2−xSbxGa4Te7.

Compositions Atom Site x y z B iso2) Occupancy
x = 0 Cu 4b 0 0 0.5 0.5(2) 0.714(1)
Ga 4a 0 0 0 0.9(2) 1
Te 8d 0.265(6) 0.25 0.125 1.22(2) 1
x = 0.05 Cu 4b 0 0 0.5 0.9(3) 0.696(1)
Sb 4b 0 0 0.5 0.9(3) 0.018(1)
Ga 4a 0 0 0 0.9(2) 1
Te 8d 0.2643(7) 0.25 0.125 1.29(3) 1
x = 0.1 Cu 4b 0 0 0.5 1.3(2) 0.68(1)
Sb 4b 0 0 0.5 1.3(2) 0.034(1)
Ga 4a 0 0 0 0.9(1) 1
Te 8d 0.2645(8) 0.25 0.125 1.10(2) 1