Table I: Structural Data on the Phases of Ice

Ice phase Crystal system Space
group
Cell dimensionsa
(pm, deg)
No. of molecules in a unit cell No. of
nearest
neighbors
Distance of
nearest
neighbors
(pm)
O···O···O
anglesa
(deg)
Hydrogen positions Densitya
(Mg m-3
IhHexagonalP63/mmca=450; c=73244275109.3, 109.6Disordered0.93
IcCubicFd3ma=63584275109.6Disordered0.94
aIAmorphous---4277-Disordered1.17
aIIAmorphous---4280-Disordered1.17
IIRhombohedralR3a=778; =113.1124275-28480-128Ordered1.18
IIITetragonalP41212a=673; c=68344276-28087-141Disordered1.15
IVRhombohedralR3ca=760; =70.1164279-29287.7-127.8Disordered1.27
VMonoclinicA2/aa=922; b=754
c=1035;
=109.2
284276-28784-128Disordered1.24
VITetragonalP42/nmca=627; c=57944280-28276-128Disordered1.33
VIICubicPn3ma=34128295109.5Disordered1.56
VIIITetragonalI41amda=480; c=69988296 and 280d109.3, 109.5Ordered1.56
IXTetragonalP412121a=673; c=683124276-28087-140Ordered1.16
XCubicPn3ma=28328245109.5Symmetric2.51

aCell dimension and density are at 110 K and atmospheric pressure. Ice X at 44 GPa and 25šC.

bBecomes partially ordered when quenched to low temperatures. A more fully ordered phase V' has space group P21/a.

cWhen cooled slowly to - 150šC, ice VI' is partly ordered with orthorhombic space group Pmmn. A fully ordered ice VI" has space group Pn.

dFour of the nearest neighbors are hydrogen-bonded to central molecule at a distance of 296 pm; four are non-bonded at 280 pm.