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. 2022 Apr 5;61(15):5844–5854. doi: 10.1021/acs.inorgchem.2c00125

Table 1. Modes, Spectral Activity, Numbering, and Symmetry for an A2[MHal6] Material with a Fmm 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 × ×