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. 2023 Feb 28;23(4):2782–2794. doi: 10.1021/acs.cgd.2c01547

Table 2. Atomic Positions and Occupations (Occ.) of the Crystal Structure of KCaPO4 Here Determined.

atom site x y z Occ.
O1 2d 2/3 1/3 0.4750(9) 1
O2 6i –0.1948(9) 0.1948(9) 0.2311(9) 1
Ca1 1a 0 0 0 1
K1 1b 0 0 1/2 1
Ca2 2d 2/3 1/3 0.7366(2) 0.5
K2 2d 2/3 1/3 0.7366(2) 0.5
P 2d 2/3 1/3 0.2910(1) 1