Table 2.
phase | crystal system | space group | lattice parameters (nm) | |
---|---|---|---|---|
a | c | |||
HA | hexagonal | P63/m | 0.9422 | 0.6885 |
atomic coordinates | ||||
---|---|---|---|---|
atom/ion | x | y | z | |
Ca1 | 0.333 | 0.667 | 0.001 | |
Ca2 | 0.246 | 0.993 | 0.250 | |
P | 0.400 | 0.369 | 0.250 | |
O1 | 0.329 | 0.484 | 0.250 | |
O2 | 0.589 | 0.466 | 0.250 | |
O3 | 0.348 | 0.259 | 0.073 | |
OH− | 0.000 | 0.000 | 0.180 |