Li0.88U3O8
hP13
(189) P-62m – gf2dc
Li0.88U3O8 hexagonal [1]
Structural features: UO7 pentagonal bipyramids (the seventh O at a slightly longer distance) share edges
to form infinite layers, which are interconnected via common vertices to form a 3D-framework. Filled-up
derivative of α-U3O8 with Li in trigonal bipyramidal voids.
Dickens P.G., Powell A.V. (1991) [1]
Li0.88O8U3
a = 0.6849, c = 0.4197 nm, c/a = 0.613, V = 0.1705 nm3, Z = 1
site
Wyck. sym.
x
y
z
occ.
atomic environment
__________________________________________________________________________________________________________________________________________________________________________
O1
U2
O3
Li4
O5
3g
3f
3f
2d
2c
m2m
m2m
m2m
-6..
-6..
0.3533
0.3542
0.7417
1
/3
1
/3
0
0
0
2
/3
2
/3
1
/2
0
0
1
/2
0
0.44
4-vertex polyhedron U2Li2
octahedron O6
non-colinear U2
trigonal bipyramid O5
trigonal bipyramid Li2U3
__________________________________________________________________________________________________________________________________________________________________________
Experimental: powder, diffractometer, neutrons, time-of-flight, RB = 0.014, T = 573 K
Remarks: The transformation from orthorhombic Li0.88U3O8 on heating was found to be irreversible.
References: [1] Dickens P.G., Powell A.V. (1991), J. Solid State Chem. 92, 159-169.
Landolt-Börnstein
New Series III/43A4