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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=92290	Help
Title	Synthesis and crystal structures of yttrium sulfates Y (O H) (S O4), Y (S O4) F, Y Ni (O H)3 (S O4) - II and Y2 Cu (O H)3 (S O4)2 F* (H2 O).
Authors	Wang, X.-Q.;Liu, L.-M.;Ross, K.;Jacobson, A.J.
Reference	IC&volume=2&fpage=109&details=yes target=icsd_help>Solid State Sciences (2000) 2, 109-118 Link XRef SCOPUS Google
Compound	H5 Cu1 F1 O12 S2 Y2 - Diyttrium copper trihydroxide bis(sulfate(VI)) fluoride hydrate [AB2C2XY12] [mP92] [e18] []
Cell	11.6889(7), 6.8660(4), 12.5280(8), 90., 97.092(1), 90. P121/N1 (14) V=997.75
Remarks	R=0.027000 : 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

Y1	(4e)	3
Y2	(4e)	3
Cu1	(4e)	2
S1	(4e)	6
S2	(4e)	6
O1	(4e)	-2
O2	(4e)	-2
O3	(4e)	-2
O4	(4e)	-2
O5	(4e)	-2
O6	(4e)	-2
O7	(4e)	-2
O8	(4e)	-2
O9	(4e)	-2
O10	(4e)	-2
O11	(4e)	-2
O12	(4e)	-2
F1	(4e)	-1
H1	(4e)	1
H2	(4e)	1
H3	(4e)	1
H4	(4e)	1
H5	(4e)	1

0.31	0.23	0.50	0.00	1
0.49	0.24	0.80	0.00	1
0.25	-.01	0.74	0.00	1
0.52	0.26	0.09	0.00	1
0.62	0.25	0.56	0.00	1
0.15	0.21	0.60	0.02	1
0.47	0.28	0.98	0.01	1
0.51	0.58	0.83	0.01	1
0.50	-.07	0.86	0.02	1
0.51	0.25	0.49	0.01	1
0.61	0.26	0.67	0.01	1
0.69	0.08	0.54	0.01	1
0.69	0.43	0.53	0.01	1
0.29	0.23	0.82	0.00	1.
0.37	0.42	0.66	0.00	1.
0.38	0.05	0.66	0.00	1.
0.35	0.22	0.31	0.02	1.
0.16	0.25	0.39	0.01	1
0.28	0.23	0.88	0.01	1
0.41	0.52	0.64	0.02	1
0.38	-.04	0.66	0.04	1
0.40	0.28	0.27	0.05	1
0.29	0.20	0.26	0.06	1

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