Structure Type 102: H2O (Ice I, hexagonal)

(O red, H pink)


Crystal Structure Data

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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