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ICSD for WWW : Details

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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=78033 Help
TitleCs3Mo4P4O22: A mixed valent monophosphate isotypic with K2Mo2P2O/11.
AuthorsBorel, M.M.;Leclaire, A.;Grandin, A.;Raveau, B.
ReferenceJournal of Solid State Chemistry (1994) 108, 336-339
Link XRef SCOPUS SCIRUS Google
CompoundCs1.5 Mo2 O11 P2 - Caesium tecto-molybdophosphate * [A3B4C4X22] [mP66] [e17] []
Cell10.134(1), 10.104(1), 9.952(1), 90., 100.44(1), 90.
P121/C1 (14) V=1002.15
RemarksR=0.034000 : TEM =294 : DEF
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
Mo1(4e)5.25
Mo2(4e)5.25
P1(4e)5
P2(4e)5
Cs1(4e)1
Cs2(4e)1
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
0.33546(5)0.07135(5)0.11965(5)0.413(5)1
0.08735(5)0.32081(5)0.13275(5)0.420(6)1
0.4057(1)0.3552(2)0.3223(2)0.43(2)1
0.1184(1)0.0626(2)0.3373(2)0.48(2)1
0.75585(4)0.19686(5)0.25889(5)1.338(6)1
0.5012(2)0.0161(1)0.4993(2)1.87(2)0.5
0.2749(5)-.0595(5)0.0258(5)1.14(7)1
0.4304(5)0.1578(5)-.0203(5)0.83(6)1
0.2480(4)0.0197(5)0.2891(5)0.86(6)1
0.5023(5)-.0318(5)0.2115(5)0.95(7)1
0.1964(4)0.1900(5)0.0794(4)0.71(6)1
0.4426(4)0.2239(5)0.2609(5)0.85(7)1
-.0615(5)0.2738(5)0.0408(5)1.11(7)1
-.0008(5)0.4734(5)0.2231(5)0.89(7)1
0.1451(4)0.4486(5)-.0054(5)0.73(6)1
0.0780(5)0.2062(4)0.2983(5)0.80(6)1
0.2626(4)0.3961(5)0.2645(5)0.76(6)1

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