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Figure 6
(a)–(c) OEC structures in the S1 and S2 states are shown as gray and colored atoms, respectively. Color codes: blue for calcium; cyan for manganese; red for oxygen. The color codes for the OEC are the same in all figures unless otherwise noted. In (b) and (c), interatomic distances are given in ångstroms, with the numbers in black for S1 and red for S2. The distances in the S2 state were shown only when they were greater by more than 0.1 Å compared with the corresponding distances in the S1 state.

Volume 8| Part 3| May 2021| Pages 431-443
ISSN: 2052-2525