Structure Type 102: H2O (Ice I, hexagonal)
(O red, H pink)
Spacegroup Symbol: |
P 63/m m c |
Origin Offset: |
(none) |
Lattice Type: |
P |
Unit Cell Parameters |
|||||
a [A] |
b [A] |
c [A] |
alpha [deg] |
beta [deg] |
gamma [deg] |
4.5227 |
4.5227 |
7.3671 |
90.000 |
90.000 |
120.000 |
Fractional Coordinates of Atoms in the Asymmetric Unit |
||||
Site Label |
Element |
x |
y |
z |
H(1) |
H |
0.3333 |
0.6667 |
0.1730 |
H(2) |
H |
0.4370 |
0.8730 |
0.0240 |
O |
O |
0.3333 |
0.6667 |
0.0618 |
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