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1 entry selected.
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
Title	X-ray diffraction study of Cs5 (H S O4)3 (H2 P O4)2, a new solid acid with a unique hydrogen-bond network.
Authors	Haile, S.M.;Calkins, P.M.
Reference	IC&volume=140&fpage=251&details=yes target=icsd_help>Journal of Solid State Chemistry (1998) 140, 251-265 Link XRef SCOPUS Google
Compound	H7 Cs5 O20 P2 S3 - Pentacaesium tris(hydrogensulfate(VI)) bis(dihydrogenphosphate(V)) [A2B3C5X20] [mS148] [f14 e2] []
Cell	34.066(19), 7.661(4), 9.158(6), 90., 90.44(6), 90. C12/C1 (15) V=2389.98
Remarks	R=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

0.5	0.08	0.25	0	1
0.18	0.49	0.24	0	1
0.09	0.13	0.95	0	1
0.5	0.58	0.25	0	0.66
0.5	0.58	0.25	0	0.33
0.20	-.00	0.48	0	0.66
0.20	-.00	0.48	0	0.33
0.40	0.86	0.00	0	1
0.46	0.69	0.29	0	1
0.48	0.46	0.12	0	1
0.21	0.18	0.48	0	1
0.24	0.91	0.50	0	1
0.18	0.92	0.35	0	1
0.18	0.93	0.61	0	1
0.40	0.74	0.88	0	1
0.37	0.97	0.00	0	1
0.44	0.97	0.01	0	1
0.40	0.76	0.15	0	1
0.25	0.25	0.5	0.08	1
0.43	0.73	0.19	0.08	1
0.5	0.5	0	0.08	1
0.25	0.75	0.5	0.08	1
0.18	0.99	0.73	0.08	1

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

0.04	0.03	0.05	0	-.00	0
0.05	0.07	0.04	0.00	-.00	-.00
0.03	0.03	0.06	-.00	0.00	0.00
0.03	0.03	0.02	0	-.00	0
0.03	0.03	0.02	0	-.00	0
0.03	0.04	0.03	-.00	0.00	0.00
0.03	0.04	0.03	-.00	0.00	0.00
0.04	0.03	0.03	0.00	-.00	-.00
0.03	0.04	0.04	0.01	0.00	0.00
0.05	0.04	0.02	-.01	-.00	-.00
0.05	0.03	0.11	-.00	-.01	0.00
0.02	0.03	0.13	-.00	-.00	-.01
0.09	0.09	0.03	-.03	-.01	0.00
0.08	0.09	0.03	-.03	0.00	-.01
0.10	0.04	0.05	-.00	0.00	-.01
0.03	0.05	0.07	0.01	-.00	0.01
0.03	0.06	0.06	-.00	0.00	0.00
0.05	0.06	0.04	0.00	-.00	0.01
0	0	0	0	0	0
0	0	0	0	0	0
0	0	0	0	0	0
0	0	0	0	0	0
0	0	0	0	0	0

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