| Material name | Praseodymium lanthanum nickel copper gallium oxide | |||||
| Composition | (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4.21 | |||||
| Chemical formula weight | 409.04 | |||||
| System | Tetragonal | |||||
| Temperature (ºC) | 27 | |||||
| a (Å), b (Å), c (Å) | 3.8333(11) | 3.8333(11) | 12.554(4) | |||
| α (deg), β (deg), γ (deg) | 90 | 90 | 90 | |||
| Unit cell volume (Å3) | 184.47(10) | |||||
| Calculated density (g/㎝3) | 7.36 | |||||
| Z | 2 | |||||
| Space group | I4/mmm (No.139) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Pr | 4e | 0.9 | 0 | 0 | 0.3586(2) | 1.28(6) |
| La | 4e | 0.1 | 0 | 0 | 0.3586(2) | 1.28(6) |
| Ni | 2a | 0.74(2) | 0 | 0 | 0 | 0.79(6) |
| Cu | 2a | 0.21(2) | 0 | 0 | 0 | 0.79(6) |
| Ga | 2a | 0.05 | 0 | 0 | 0 | 0.79(6) |
| O1 | 4c | 1 | 1/2 | 0 | 0 | 1.19(6) |
| O2 | 4e | 0.965(6) | 0 | 0 | 0.1749(3) | 4.59 |
| O3 | 16n | 0.035(2) | 0.56(2) | 0 | 0.233(3) | 2.38(13) |
| Comment | B values were calculated on the basis of Ueq values in the reference. | |||||
Reference: M. Yashima, N. Sirikanda, and T. Ishihara, Journal of the American Chemical Society, 132, 2385 (2010).