Brandenburg N.P., Loopstra B.O. // Cryst.Struct.Commun.1973, V.2, 243-246.
UO2*SO4*3.5H2O beta
a= 13.700A; b= 10.790A; c= 11.910A
Alpha= 90.00 Beta= 110.80 Gamma= 90.00
Atomic coordinates
Name |
x |
y |
z |
O1 |
0.0481 |
0.7292 |
0.4592 |
O2 |
0.1311 |
0.8427 |
0.3476 |
O3 |
0.0138 |
0.9329 |
0.1164 |
O4 |
0.1475 |
0.0906 |
0.0459 |
O5 |
0.3256 |
0.9685 |
0.4186 |
O6 |
0.3936 |
0.8217 |
0.0509 |
O7 |
0.3356 |
0.1083 |
0.2358 |
O8 |
0.5000 |
0.9664 |
0.2500 |
O9 |
0.1393 |
0.1170 |
0.2900 |
O10 |
0.2352 |
0.8624 |
0.1770 |
U1 |
0.1852 |
0.9895 |
0.2304 |
S1 |
0.0781 |
0.8522 |
0.4357 |
Coordination number of S 1 is 4 (O2.1 O1.1 O3.2 O4.4)
Coordination number of U 1 is 7 (O10.1 O9.1 O7.1 O5.1 O4.1 O3.1 O2.1)
Coordination number of O 10 is 1 (U1.1)
Coordination number of O 9 is 1 (U1.1)
Coordination number of O 8 is 0
Coordination number of O 7 is 1 (U1.1)
Coordination number of O 6 is 0
Coordination number of O 5 is 1 (U1.1)
Coordination number of O 4 is 2 (U1.1 S1.4)
Coordination number of O 3 is 2 (U1.1 S1.2)
Coordination number of O 2 is 2 (U1.1 S1.1)
Coordination number of O 1 is 1 (S1.1)
Central atom: U1
Structure consists of molecules. The composition of molecule is O4S
S 1 0.0781 0.8522 0.4357 (0 0 0)
O 2 0.1311 0.8427 0.3476 (0 0 0) * links with U1.1
O 1 0.0481 0.7292 0.4592 (0 0 0)
O 3 -0.0138 0.9329 0.3836 (0 0 0) * links with U1.2
O 4 0.1475 0.9094 0.5459 (0 1 0) * links with U1.4
Coordination type of ligand: T 3
Structure consists of molecules of O10 Coordination type: M 1
Structure consists of molecules of O9 Coordination type: M 1
Structure consists of molecules of O8
Structure consists of molecules of O7 Coordination type: M 1
Structure consists of molecules of O6
Structure consists of molecules of O5 Coordination type: M 1
Crystal chemical formula: A*T3*M1)4
Topology for U1
--------------------
Atom U1 links by bridge ligands and has
Common vertex with R(A-A)
U 1 0.1852 1.0105 0.7304 ( 0 2 0) 5.959A
U 1 0.1852 1.0105 -0.2696 ( 0 2-1) 5.959A
Common edge with R(A-A)
U 1 -0.1852 0.9895 0.2696 ( 0 0 0) 5.258A
U 1 -0.1852 1.0105 -0.2304 ( 0 2 0) 6.012A
H(t) |
H(p) |
V |
E |
F |
A-A |
C(t) |
C(p) |
V |
E |
F |
0 |
0 |
0 |
0 |
0 |
0 |
6 |
4 |
2 |
2 |
0 |
Structure consists of chains [ 0 0 1] with USO8