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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=280677 Help
TitleSynthesis and characterization of copper, zinc, manganese and cobalt-substituted, dimeric heteropolyanions, ((alpha-X W9 O33)2 M3 (H2 O)3)(n-) (n=12,X=As(III),Sb(III),M=Cu(2+),Zn(2+); n=10,X=Se(IV), Te(IV),M=Cu(2+)).
AuthorsKortz, U.;Al-Kassem, N.K.;Savelieff, M.G.;Al Kadi, N.A.;Sadakane, M.
ReferenceInorganic Chemistry (2001) 40, 474-474
Link XRef SCOPUS Google
CompoundH31 As2 Cs6.25 Mn2.37 Na3.27 O81.5 W18.63 - Caesium sodium arsenic manganese tungsten oxide hydrate (6.25/3.27/2/2.37/18.63/66/15.5) [] [mP290] [f54 e20] []
Cell12.5139(11), 19.1754(17), 17.2199(16), 90., 95.838(2), 90.
P121/M1 (11) V=4110.64
RemarksR=0.105000 : D T =173 :
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.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
2.27 Na added for charge neutrality

Atom (site) Oxid. x, y, z, B, Occupancy
W1(4f)6
W2(2e)6
W3(4f)6
W4(4f)6
W5(4f)6
W6(4f)6
W7(4f)6
W8(4f)6
W9(4f)6
W10(2e)6
Mn1(2e)2
W11(2e)6
Mn2(4f)2
W12(4f)6
As1(2e)3
As2(2e)3
Cs1(4f)1
Cs2(4f)1
Cs3(4f)1
Cs4(4f)1
Cs5(4f)1
Cs6(2e)1
Na1(2e)1
O1(2e)-2
O2(4f)-2
O3(2e)-2
O4(4f)-2
O5(2e)-2
O6(4f)-2
O7(2e)-2
O8(2e)-2
O9(4f)-2
O10(4f)-2
O11(4f)-2
O12(4f)-2
O13(2e)-2
O14(4f)-2
O15(4f)-2
O16(2e)-2
O17(4f)-2
O18(4f)-2
O19(4f)-2
O20(4f)-2
O21(2e)-2
O22(4f)-2
O23(4f)-2
O24(2e)-2
O25(4f)-2
O26(2e)-2
O27(4f)-2
O28(4f)-2
O29(4f)-2
O30(4f)-2
O31(4f)-2
O32(4f)-2
O33(4f)-2
O34(4f)-2
O35(4f)-2
O36(4f)-2
O37(4f)-2
O38(4f)-2
O39(2e)-2
O40(4f)-2
O41(4f)-2
O42(2e)-2
O43(2e)-2
O44(4f)-2
O45(4f)-2
O46(4f)-2
O47(4f)-2
O48(4f)-2
O49(4f)-2
O50(4f)-2
O51(4f)-2
O52(4f)-2
H1(4f)1
Na2(4f)1
0.390.340.7201
0.140.250.7501
0.470.340.5401
0.250.430.5701
0.000.330.6001
0.330.340.1701
0.110.430.2001
0.860.330.2401
0.110.340.0301
0.870.250.0701
0.380.250.3600.98
0.380.250.3600.02
0.080.350.4000.7
0.080.350.4000.3
0.240.250.5501
0.110.250.2201
0.160.450.8001
0.380.470.3600.5
0.440.570.6600.5
0.360.26-.0500.5
0.870.33-.1400.5
0.780.250.4400.25
0.870.250.4301
0.140.250.610.021
0.320.310.590.021
0.970.250.190.011
0.150.320.160.011
0.430.250.730.031
0.450.370.810.041
0.120.250.840.041
0.520.250.570.031
0.410.320.440.021
0.600.370.520.041
0.200.390.470.021
0.220.510.560.041
0.920.250.590.011
0.010.330.490.021
0.900.390.600.031
0.340.250.140.021
0.340.320.270.021
0.450.370.150.041
0.130.400.300.031
0.080.520.220.041
0.790.250.260.011
0.950.330.330.021
0.770.390.260.031
0.140.250.010.031
0.100.37-.050.041
0.770.25-.010.041
0.250.320.740.031
0.500.360.650.031
0.320.430.680.031
0.030.320.710.031
0.400.430.540.041
0.120.400.610.021
0.250.430.190.051
0.260.360.060.041
0.960.390.200.031
0.080.430.090.041
0.800.310.130.031
0.970.310.040.031
0.560.250.330.041
0.000.460.410.041
0.150.550.000.081.
0.660.25-.180.081.
0.590.250.170.071.
0.730.35-.100.020.5
0.730.390.700.050.5
0.640.410.090.040.5
0.520.470.090.040.5
0.320.570.200.030.5
0.720.280.660.030.5
0.620.450.880.040.5
0.410.42-.020.050.5
0.570.320.960.010.25
015.5
01.13
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
W1(4f)6
W2(2e)6
W3(4f)6
W4(4f)6
W5(4f)6
W6(4f)6
W7(4f)6
W8(4f)6
W9(4f)6
W10(2e)6
Mn1(2e)2
W11(2e)6
Mn2(4f)2
W12(4f)6
As1(2e)3
As2(2e)3
Cs1(4f)1
Cs2(4f)1
Cs3(4f)1
Cs4(4f)1
Cs5(4f)1
Cs6(2e)1
Na1(2e)1
O1(2e)-2
O2(4f)-2
O3(2e)-2
O4(4f)-2
O5(2e)-2
O6(4f)-2
O7(2e)-2
O8(2e)-2
O9(4f)-2
O10(4f)-2
O11(4f)-2
O12(4f)-2
O13(2e)-2
O14(4f)-2
O15(4f)-2
O16(2e)-2
O17(4f)-2
O18(4f)-2
O19(4f)-2
O20(4f)-2
O21(2e)-2
O22(4f)-2
O23(4f)-2
O24(2e)-2
O25(4f)-2
O26(2e)-2
O27(4f)-2
O28(4f)-2
O29(4f)-2
O30(4f)-2
O31(4f)-2
O32(4f)-2
O33(4f)-2
O34(4f)-2
O35(4f)-2
O36(4f)-2
O37(4f)-2
O38(4f)-2
O39(2e)-2
O40(4f)-2
O41(4f)-2
O42(2e)-2
O43(2e)-2
O44(4f)-2
O45(4f)-2
O46(4f)-2
O47(4f)-2
O48(4f)-2
O49(4f)-2
O50(4f)-2
O51(4f)-2
O52(4f)-2
H1(4f)1
Na2(4f)1
0.010.040.02-.000.00-.01
0.010.030.0100.000
0.010.030.02-.000.00-.00
0.020.020.02-.000.00-.00
0.020.010.010.00-.00-.00
0.010.030.02-.00-.000.01
0.010.010.02-.00-.000.00
0.010.010.02-.00-.000.00
0.010.030.02-.00-.000.01
0.010.030.010-.000
0.070.010.000-.010
0.070.010.000-.010
0.010.020.000.00-.00-.00
0.010.020.000.00-.00-.00
0.010.010.010-.000
0.010.010.010-.000
0.030.020.040.000.020.01
0.040.020.02-.01-.010.00
0.030.030.03-.010.00-.00
0.030.050.03-.000.000.00
0.040.030.03-.01-.010.00
0.010.330.010-.000
0.050.050.0300.000
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