Table 1 Atomic coordinates in the 2:7 crystal deduced from the HAADF image depicted in Fig. 1b.
From: Atomic resolution imaging of cation ordering in niobium–tungsten complex oxides
Atom | Nb occupancy | x | y | z | Atom | Occupancy | x | y | z |
|---|---|---|---|---|---|---|---|---|---|
M1 | 0.71 | 0.341 | 0.068 | 0.5 | O22 | 1.0 | 0.037 | 0.083 | 0 |
M2 | 0.60 | 0.041 | 0.388 | 0.5 | O23 | 1.0 | 0.016 | 0.156 | 0 |
M3 | 0.36 | 0.353 | 0.202 | 0.5 | O24 | 1.0 | 0.017 | 0.322 | 0 |
M4 | 0.44 | 0.097 | 0.033 | 0.5 | O25 | 1.0 | 0.242 | 0.056 | 0 |
M5 | 0.50 | 0.468 | 0.088 | 0.5 | O26 | 1.0 | 0.142 | 0.098 | 0 |
M6 | 0.37 | 0.217 | 0.132 | 0.5 | O27 | 1.0 | 0.168 | 0.199 | 0 |
M7 | 0.46 | 0.152 | 0.284 | 0.5 | O28 | 1.0 | 0.297 | 0.154 | 0 |
M8 | 0.37 | 0.021 | 0.240 | 0.5 | O29 | 1.0 | 0.402 | 0.137 | 0 |
M9 | 0.38 | 0.492 | 0.257 | 0.5 | O30 | 1.0 | 0.421 | 0.023 | 0 |
M10 | 0.49 | 0.299 | 0.346 | 0.5 | O31 | 1.0 | 0.498 | 0.162 | 0 |
M11 | 0.26 | 0.446 | 0.385 | 0.5 | O32 | 1.0 | 0.429 | 0.222 | 0 |
O12 | 1.0 | 0.097 | 0.033 | 0.5 | O33 | 1.0 | 0.332 | 0.278 | 0 |
O13 | 1.0 | 0.021 | 0.240 | 0.5 | O34 | 1.0 | 0.221 | 0.332 | 0 |
O14 | 1.0 | 0.217 | 0.132 | 0.5 | O35 | 1.0 | 0.110 | 0.350 | 0 |
O15 | 1.0 | 0.468 | 0.088 | 0.5 | O36 | 1.0 | 0.091 | 0.240 | 0 |
O16 | 1.0 | 0.353 | 0.202 | 0.5 | O37 | 1.0 | 0.091 | 0.447 | 0 |
O17 | 1.0 | 0.152 | 0.284 | 0.5 | O38 | 1.0 | 0.261 | 0.414 | 0 |
O18 | 1.0 | 0.041 | 0.388 | 0.5 | O39 | 1.0 | 0.375 | 0.362 | 0 |
O19 | 1.0 | 0.492 | 0.257 | 0.5 | O40 | 1.0 | 0.466 | 0.318 | 0 |
O20 | 1.0 | 0.299 | 0.346 | 0.5 | O41 | 1.0 | 0.426 | 0.458 | 0 |
O21 | 1.0 | 0.446 | 0.385 | 0.5 | O42 | 1.0 | 0.341 | 0.068 | 0.5 |
