Table 2. The positions of the atoms in the asymmetric unit of a model structure for layered double hydroxide phases.
The space group is (No. 166, hexagonal axes). The ‘x’ in the occupancy (Occ.) column refers to the fraction of M
3+ ions in the formula rather than to the axial vector.
Label | Atom | Position | x/a | y/b | z/c | Occ. |
---|---|---|---|---|---|---|
M1 | M 2+ | 3a | 0 | 0 | 0 |
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M2 | M 3+ | 3a | 0 | 0 | 0 |
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O1 | O | 6c | 0 | 0 | z O1 | 1 |
H1 | H | 6c | 0 | 0 | z H1 | 1 |
O2 | O | 18h | x O2 | x O2 |
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C1 | C | 6c | 0 | 0 |
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