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(a) (left) Partial density of states (PDOS) projected on the constituent atoms in MNCO3F, exemplified by the KSrCO3F crystal, (right) the PDOS zoomed-in to show the non-bonding states on oxygen atoms.(b) PDOS projected on the constituent atoms in KBeCO3F (left) and RbAlCO3F2 (right). The blue and red curves represent the s and p orbitals, respectively, and the shadow areas represent the region occupied by non-bonding states on oxygen atoms.
