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Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=82401 Help
TitleA new synthetic fluoride phosphate of mixed-valence iron: Cs8 Fe(3+)8 Fe(2+)7 F10 (P O4)2.
AuthorsFrenzen, G.;Yakubovich, O.V.;Mel'nikov, O.K.
ReferenceIC&volume=52&fpage=749&details=yes target=icsd_help>Acta Crystallographica C (1996) 52, 749-753
Link XRef SCOPUS Google
CompoundCs8 F10 Fe15 O48 P12 - Octacaesium octairon(III) heptairon decafluoride dodecakis(phosphate(V)) [A2B6C7D8X10Y48] [mS372] [f47 e5 c] []
Cell21.316(11), 12.296(7), 20.6860(80), 90., 109.98(6), 90.
C12/C1 (15) V=5095.51
RemarksR=0.036000 : M =Fe : D
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(8f)1
Cs2(8f)1
Cs3(8f)1
Cs4(8f)1
Cs5(8f)1
Cs6(8f)1
Fe1(4c)3
Fe2(4e)2
Fe3(4e)2
Fe4(4e)2
Fe5(8f)2
Fe6(8f)2
Fe7(8f)3
Fe8(8f)2.5
Fe9(8f)3
Fe10(8f)3
Fe11(8f)2
P1(8f)5
P2(8f)5
P3(8f)5
P4(8f)5
P5(8f)5
P6(8f)5
F1(4e)-1
F2(4e)-1
F3(8f)-1
F4(8f)-1
F5(8f)-1
F6(8f)-1
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
O11(8f)-2
O12(8f)-2
O13(8f)-2
O14(8f)-2
O15(8f)-2
O16(8f)-2
O17(8f)-2
O18(8f)-2
O19(8f)-2
O20(8f)-2
O21(8f)-2
O22(8f)-2
O23(8f)-2
O24(8f)-2
0.250.920.0201
0.160.410.2501
0.090.400.0301
0.430.410.070.020.41
0.440.420.080.020.17
0.440.410.060.020.42
0.250.25001
00.210.2501
00.740.2500.89
00.660.2500.10
0.080.990.2400.89
0.130.050.2400.10
0.080.760.9901
0.460.920.1401
0.220.660.1501
0.210.160.1401
0.350.260.2501
0.360.700.1301
0.040.200.1301
0.270.400.1301
0.060.640.1301
0.360.130.1301
0.140.910.1301
00.460.2501
0.50.410.2501
0.420.880.0401
0.190.170.0401
0.170.690.0501
0.260.640.2401
0.130.600.1501
0.380.020.1301
0.390.590.1701
0.590.440.1601
0.300.730.1301
0.420.210.1601
0.320.160.0501
0.080.290.3201
0.220.320.1501
0.110.890.0501
0.200.000.1401
0.030.310.1501
0.550.210.1801
0.180.650.3201
-.040.29-.0601
0.530.620.1801
0.360.690.0601
0.310.310.3201
0.220.12-.0601
0.250.980.8701
-.000.180.0601
0.010.540.1201
0.110.180.1301
0.340.390.1901
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cs1(8f)1
Cs2(8f)1
Cs3(8f)1
Cs4(8f)1
Cs5(8f)1
Cs6(8f)1
Fe1(4c)3
Fe2(4e)2
Fe3(4e)2
Fe4(4e)2
Fe5(8f)2
Fe6(8f)2
Fe7(8f)3
Fe8(8f)2.5
Fe9(8f)3
Fe10(8f)3
Fe11(8f)2
P1(8f)5
P2(8f)5
P3(8f)5
P4(8f)5
P5(8f)5
P6(8f)5
F1(4e)-1
F2(4e)-1
F3(8f)-1
F4(8f)-1
F5(8f)-1
F6(8f)-1
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
O11(8f)-2
O12(8f)-2
O13(8f)-2
O14(8f)-2
O15(8f)-2
O16(8f)-2
O17(8f)-2
O18(8f)-2
O19(8f)-2
O20(8f)-2
O21(8f)-2
O22(8f)-2
O23(8f)-2
O24(8f)-2
0.010.010.01-.000.00-.00
0.010.010.01-.000.000.00
0.010.010.010.000.000.00
000000
000000
000000
0.000.000.000.000.000.00
0.000.020.000-.000
0.000.030.0000.000
0.000.030.0000.000
0.020.010.000.000.00-.00
0.020.010.000.00-.00-.00
0.000.000.00-.000.00-.00
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.00-.000.00-.00
0.020.010.010.010.00-.00
0.000.000.00-.000.000.00
0.000.000.000.000.000.00
0.010.000.000.000.00-.00
0.000.000.00-.000.000.00
0.000.000.000.000.000.00
0.000.000.00-.000.00-.00
0.020.030.020-.000
0.030.020.0200.000
0.010.000.01-.000.00-.00
0.010.010.01-.000.000.00
0.000.010.010.000.000.00
0.030.020.01-.000.000.00
0.000.020.020.000.000.01
0.010.010.020.000.000.00
0.020.010.020.000.000.01
0.010.020.010.000.00-.00
0.000.010.020.000.010.00
0.010.010.02-.000.000.00
0.010.010.000.000.000.00
0.000.010.010.000.000.00
0.030.000.02-.000.02-.00
0.010.010.00-.000.000.00
0.010.000.01-.000.00-.00
0.000.010.020.00-.00-.01
0.010.020.01-.000.00-.00
0.000.010.010.000.00-.00
0.000.020.010.000.000.00
0.010.010.020.000.010.00
0.010.010.00-.000.00-.00
0.010.000.01-.000.000.00
0.020.000.00-.000.00-.00
0.010.000.020.000.01-.00
0.010.010.010.00-.00-.00
0.010.000.020.000.010.00
0.000.020.030.000.000.00
0.020.010.010.000.000.00

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