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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=62374 Help
TitleCrystal structure and phase transitions in Mn Ti F6 * 6 H2 O and Zn Ti F6 * 6 H2 O.
AuthorsChattopadhyay, T.K.;Devreux, F.;Peters, K.;Gmelin, E.;Ghosh, B.
ReferenceJournal of Physics C (1988) 21, 1321-1334
Link XRef SCOPUS SCIRUS Google
Also: Phase Transition (1992) 38, 127-220
Link XRef SCOPUS SCIRUS Google
CompoundH12 F6 Mn1 O6 Ti1 - Manganese hexafluorotitanate hexahydrate [ABX6Y6] [hR26] [f2 b a] []
Cell9.708(1), 9.708(1), 10.058(1), 90., 90., 120.
R3-H (148) V=820.92
RemarksR=0.042000 : PDF =25-554 :
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.
Stable above 250 K (2nd ref., Tomaszewski), below tricl.

Atom (site) Oxid. x, y, z, B, Occupancy
Mn1(3a)2
Ti1(3b)4
F1(18f)-1
O1(18f)-2
H1(18f)1
H2(18f)1
00001
000.501
-.1322(3)-.1668(2)0.3943(2)01
0.0135(3)0.1875(2)0.1252(2)01
0.068(4)0.278(5)0.102(4)0.081
0.007(5)0.187(6)0.189(4)0.081
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Mn1(3a)2
Ti1(3b)4
F1(18f)-1
O1(18f)-2
H1(18f)1
H2(18f)1
0.032(1)0.032(1)0.023(1)0.016(1)00
0.031(1)0.031(1)0.020(1)0.016(1)00
0.093(1)0.045(1)0.035(1)0.002(1)-0.006(1)-0.006(1)
0.081(1)0.038(1)0.033(1)0.027(1)0.011(1)-0.001(1)
000000
000000

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