Table 3. Conjoined Experimental Data (Collected in Ambient Conditions Using a Confocal NIR-785 nm Laser) and Literature Phonon Assignments for Raman Spectra of Both BCW (Assumed I2/m or R-3) and CCWO (R-3c or R3c) Space Groups Emphasizing Observable Differences and Similarities69−74.
| Wavenumberω0 (cm–1) | Signalassignmentandcharacteristicsa | ||
|---|---|---|---|
| Ba2CeWO6 | Ca3Ce2W2O12 | ||
| 78.6 | 81.3 | CaO6 and BaO6 multisite complex lattice deformations at the A-site of mixed Bg/Eg and E origin signifying disorder and divergence from a perfect cubic structure | BCW s, sh |
| CCWO m,sh | |||
| 96.5 | 92,4 | BCW s, sh | |
| CCWO mw, sh | |||
| 134.1 | 123.5 | BCW w, sh right shoulder | |
| CCWO mw, sh | |||
| 182.8 | 186.3 | BCW w, br | |
| CCWO w, br | |||
| 231.2 | 228.3 | in-plane σρ and out-of-plane στ bending in CeO6 and WO6 clusters of mixed Bg/Eg and E origin between shared and not shared sites of various B-site cations | BCW, w, sh, left shoulder |
| CCWO w, br | |||
| 267.0 | 261.7 | BCW mw, sh, left shoulder | |
| CCWO w, br, right shoulder | |||
| 288.3 | 288.6 | BCW m, sh | |
| CCWO mw, sh | |||
| 320.3 | 297.7 | BCW mw, sh, right shoulder | |
| CCWO mw, sh | |||
| 370.8 | in-plane σsc and out-of-plane σω bending in CeO6 and WO6 clusters of mixed Bg/Eg and E origin between shared and not shared sites of various B-site cations | mw, sh | |
| 400.1 | 414.5 | BCW m, sh | |
| CCWO mw, sh, left shoulder | |||
| 441.9 | 445 | BCW mw. sh, right shoulder | |
| CCWO m, sh | |||
| 459.9 | distorted impurity of νsym CeO2, (F2g) | mw, sh, right shoulder | |
| 499.3 | transverse CeO6 and WO6 motion of mixed A1g and Bg/Eg character between shared and not shared sites of various B-site cations | mw, sh, right shoulder | |
| 626.7 | w br, right shoulder | ||
| 667.2- | 672.4 | BCW mw, sh, left shoulder | |
| CCWO w, br, right shoulder | |||
| 710.8 | νasym and νsym stretches of CeO6 and WO6 clusters of A1 and A1g for various Wyckoff sites not only partially occupied but also hosting B-site Ce/W ions having different charges | mw, sh, left shoulder | |
| 733.5 | 753.2 | BCW s, sh | |
| CCWO m, sh | |||
| 814.5 | 812.8 | BCW m, sh, left shoulder | |
| CCWO s, sh | |||
| 838.9 | 828.3 | BCW s, sh | |
| CCWO s, sh | |||
| 888.1 | mw, sh, right shoulder | ||
a
Key: w, weak; m, medium; s, strong; sh, sharp; br, broad; νsym, symmetric stretching; νasym, asymmetric stretching; σsc, scissoring deformation; σω, wagging deformation; στ, twisting deformation; σρ, rocking deformation.