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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=413074 Help
TitleCrystal structure and chemical stabilization of the triple salt (K H S O5)2 * (K H S O4) * (K2 S O4).
AuthorsErmer, O.; Roebke, C.
ReferenceIC&volume=86&fpage=290&details=yes target=icsd_help>Helvetica Chimica Acta (2003) 86, 290-291
Link XRef SCOPUS Google
CompoundH3 K5 O18 S4 - Potassium hydrogenperoxotrioxosulfate(VI) - potassium hydrogensulfate(VI) - dipotassium sulfate(VI) (2/1/1) [A4B5X4Y14] [mP60] [e13 a] []
Cell8.4994(2), 10.5305(2), 9.8208(2), 90., 105.2851(9), 90.
P121/A1 (14) V=847.9
RemarksR=0.025700 : M =O : T =100 : D
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
K1(4e)1
K2(2a)1
K3(4e)1
S1(4e)6
S2(4e)6
O1(4e)-1
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-1
H1(4e)1
H2(4e)1
0.750.370.730.011
0000.021
0.460.220.310.011
0.150.320.040.011
0.790.040.570.011
0.620.100.590.011
0.150.200.120.011
0.78-.080.560.011
0.280.410.120.021
0.910.090.700.021
-.000.380.020.031
0.180.30-.090.041
0.790.110.440.021
0.570.030.700.011
0.620.080.780.041
1.000.540.990.030.5
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
K1(4e)1
K2(2a)1
K3(4e)1
S1(4e)6
S2(4e)6
O1(4e)-1
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-1
H1(4e)1
H2(4e)1
0.010.010.01-0.00.000.00
0.020.020.02-0.00.01-0.0
0.010.010.010.000.00-0.0
0.010.010.010.000.00-0.0
0.010.010.010.000.000.00
0.010.010.010.000.000.00
0.020.010.02-0.00.000.00
0.020.010.020.000.000.00
0.010.010.02-0.0-0.00.00
0.010.030.02-0.00.00-0.0
0.010.020.070.000.000.00
0.090.020.010.020.010.00
0.030.020.020.000.010.00
0.020.020.01-0.00.00-0.0
000000
000000

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