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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=94861 Help
TitleDynamic behavior of the Jahn-Teller distorted (Cu (H2 O)6)(2+) ion in Cu(2+)-doped Cs2 (Zn (H2 O)6) (Zr F6)2 and the crystal structure of the host lattice.
AuthorsHitchman, M.A.;Yablokov, Yu.V.;Petrashen, V.E.;Augustyniak-Jublokov, M.A.;Stratemeier, H.;Riley, M.J.;Lukaszewicz, K.;Tomaszewski, P.E.;Pietraszko, A.
ReferenceInorganic Chemistry (2002) 41, 229-238
Link XRef SCOPUS Google
CompoundH12 Cs2 F12 O6 Zn1 Zr2 - Dicaesium hexaaquazinc bis(hexafluorozirconate) [AB2C2X6Y12] [mP70] [e11 a] []
Cell6.970(1), 10.515(2), 11.803(2), 90, 93.56(3), 90
P121/N1 (14) V=863.37
RemarksR=0.040500 :
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
Cs1(4e)1
Zr1(4e)4
Zn1(2a)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
F1(4e)-1
F2(4e)-1
F3(4e)-1
F4(4e)-1
F5(4e)-1
F6(4e)-1
H1(4e)1
H2(4e)1
H3(4e)1
H4(4e)1
H5(4e)1
H6(4e)1
0.500.700.0601
0.510.980.3401
0.0.0.01
0.200.89-0.001.00
0.770.88-0.001.00
-0.00.110.8501.00
0.510.100.4901
0.480.780.3101
0.790.940.3701
0.510.960.1701
0.590.150.2901
0.230.000.3301
0.160.850.890.051
0.000.190.830.071
0.830.830.880.091
0.280.950.880.041
0.700.920.880.061
-0.00.100.780.051
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cs1(4e)1
Zr1(4e)4
Zn1(2a)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
F1(4e)-1
F2(4e)-1
F3(4e)-1
F4(4e)-1
F5(4e)-1
F6(4e)-1
H1(4e)1
H2(4e)1
H3(4e)1
H4(4e)1
H5(4e)1
H6(4e)1
0.040.030.03-0.0-0.00.00
0.030.020.010.000.000.00
0.030.020.02-0.00.00-0.0
0.030.030.02-0.00.00-0.0
0.030.030.03-0.0-0.0-0.0
0.070.040.02-0.0-0.00.00
0.080.020.02-0.00.000.00
0.050.020.02-0.00.00-0.0
0.030.050.05-0.00.00-0.0
0.040.030.02-0.00.00-0.0
0.090.020.03-0.00.010.00
0.040.060.040.000.00-0.0
000000
000000
000000
000000
000000
000000

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