[NH4]In[C2O4]2[H2O]2
(180) P6222 – k2j2hca
hP48
NH4[In(C2O4)2]·2H2O [1]; NH4[Ti(C2O4)2]·2H2O [2]
Structural features: InO8 square antiprisms share edges (of the square faces) with planar O2C-CO2
(oxalate) units to form a 3D-framework; NH4 and H2O in channels parallel to [001]. See Fig. IV.45.
Bulc N. et al. (1983) [1]
C4H8InNO10
a = 0.9025, c = 1.1343 nm, c/a = 1.257, V = 0.8001 nm3, Z = 3
site
Wyck. sym.
x
y
z
occ.
atomic environment
__________________________________________________________________________________________________________________________________________________________________________
O1
12k
O2
12k
C3
6j
C4
6j
(OH2)5 6h
In6
3c
(NH4)7 3a
1
1
..2
..2
.2.
222
222
0.3117
0.3468
0.2109
0.3097
0.248
1
/2
0
0.5531
0.0787
0.4219
0.6195
0
0
0
0.22207
0.10527
1
/2
1
/2
1
/2
0
0
single atom C
single atom C
non-colinear O2
non-colinear O2
tetrahedron O2(NH4)2
square antiprism O8
8-vertex polyhedron (OH2)4O4
__________________________________________________________________________________________________________________________________________________________________________
Experimental: single crystal, diffractometer, X-rays, R = 0.024, T = 293 K
Remarks: Hydrogen atoms are not taken into consideration for Pearson symbol, Wyckoff sequence and
atomic environments.
Fig. IV.45. NH4[In(C2O4)2]·2H2O
square
Arrangement
of
InO8
antiprisms, C2O4 units (C atoms small
dark, O atoms small light), NH4 units
(N atoms large dark) and H2O
molecules (O atoms large light).
References: [1] Bulc N., Golic L., Siftar J. (1983), Acta Crystallogr. C 39, 176-178. [2] English R.B., Eve
D.J. (1993), Inorg. Chim. Acta 203, 219-222.
Landolt-Börnstein
New Series III/43A4