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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=51100 Help
TitleX-ray diffraction study of Cs5 (H S O4)3 (H2 P O4)2, a new solid acid with a unique hydrogen-bond network.
AuthorsHaile, S.M.;Calkins, P.M.
ReferenceIC&volume=140&fpage=251&details=yes target=icsd_help>Journal of Solid State Chemistry (1998) 140, 251-265
Link XRef SCOPUS Google
CompoundH7 Cs5 O20 P2 S3 - Pentacaesium tris(hydrogensulfate(VI)) bis(dihydrogenphosphate(V)) [A2B3C5X20] [mS148] [f14 e2] []
Cell34.066(19), 7.661(4), 9.158(6), 90., 90.44(6), 90.
C12/C1 (15) V=2389.98
RemarksR=0.076700 :

Atom (site) Oxid. x, y, z, B, Occupancy
Cs1(4e)1
Cs2(8f)1
Cs3(8f)1
P1(4e)5
S1(4e)6
P2(8f)5
S2(8f)6
S3(8f)6
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(8f)-2
H1(4d)1
H2(8f)1
H3(4a)1
H4(4c)1
H5(8f)1
0.50.080.2501
0.180.490.2401
0.090.130.9501
0.50.580.2500.66
0.50.580.2500.33
0.20-.000.4800.66
0.20-.000.4800.33
0.400.860.0001
0.460.690.2901
0.480.460.1201
0.210.180.4801
0.240.910.5001
0.180.920.3501
0.180.930.6101
0.400.740.8801
0.370.970.0001
0.440.970.0101
0.400.760.1501
0.250.250.50.081
0.430.730.190.081
0.50.500.081
0.250.750.50.081
0.180.990.730.081
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cs1(4e)1
Cs2(8f)1
Cs3(8f)1
P1(4e)5
S1(4e)6
P2(8f)5
S2(8f)6
S3(8f)6
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(8f)-2
H1(4d)1
H2(8f)1
H3(4a)1
H4(4c)1
H5(8f)1
0.040.030.050-.000
0.050.070.040.00-.00-.00
0.030.030.06-.000.000.00
0.030.030.020-.000
0.030.030.020-.000
0.030.040.03-.000.000.00
0.030.040.03-.000.000.00
0.040.030.030.00-.00-.00
0.030.040.040.010.000.00
0.050.040.02-.01-.00-.00
0.050.030.11-.00-.010.00
0.020.030.13-.00-.00-.01
0.090.090.03-.03-.010.00
0.080.090.03-.030.00-.01
0.100.040.05-.000.00-.01
0.030.050.070.01-.000.01
0.030.060.06-.000.000.00
0.050.060.040.00-.000.01
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000000
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