Table 1. Modes, Spectral Activity, Numbering, and Symmetry for an A2[MHal6] Material with a Fm3̅m Symmetry, One Formula Unit in the Primitive Cell, the Complex Ion on the Oh Site, and the Counterion on the Td Site.
activity |
|||||
---|---|---|---|---|---|
mode | description | symmetry | IR | R | INS |
ν1 | symmetric M–Hal stretch | A1g | × | √ | √ |
ν2 | symmetric M–Hal stretch | Eg | × | √ | √ |
ν3 | asymmetric M–Hal stretch | T1u | √ | × | √ |
ν4 | asymmetric Hal–M–Hal bend | T1u | √ | × | √ |
ν5 | symmetric Hal–M–Hal bend | T2g | × | √ | √ |
ν6 | asymmetric Hal–M–Hal bend | T2u | × | × | √ |
ν7 | libration | T1g | × | × | √ |
ν8 | optic translation | T1u | √ | × | √ |
ν9 | optic translation | T2g | × | √ | √ |
ν10 | acoustic translation | T1u | × | × | √ |