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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=281454 Help
TitleA novel zirconium polyoxometalate complex that contains both a coordinated saturated anion (P Mo12 O40)(3-) and a coordinated unsaturated anion,(P Mo11 O39)(7-).
AuthorsGaunt, A.J.; May, I.; Collison, D.; Fox, O.D.
ReferenceInorganic Chemistry (2003) 42, 504-505
Link XRef SCOPUS Google
CompoundH76 Mo23 N6 O105 P2 Zr1 - Hexaammonium dodecamolybdophosphato(V)undecamolybdo- phosphato(V)zirconate hexacosahydrate [AB2C23X6Y105] [mP426] [f58 e25] []
Cell12.743(3), 19.827(4), 18.791(4), 90., 93.726(4), 90.
P121/M1 (11) V=4737.61
RemarksR=0.068600 : T =100 : 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
Mo1(4f)6
Mo2(4f)6
Mo3(4f)6
Mo4(4f)6
Mo5(4f)6
Mo6(2e)6
Mo7(4f)6
Mo8(4f)6
Mo9(2e)6
Mo10(4f)6
Mo11(2e)6
Mo12(4f)6
Mo13(4f)6
N1(4f)-3
N2(4f)-3
N3(4f)-3
O1(4f)-2
O2(4f)-2
O3(4f)-2
O4(4f)-2
O5(2e)-2
O6(2e)-2
O7(4f)-2
O8(4f)-2
O9(4f)-2
O10(4f)-2
O11(2e)-2
O12(4f)-2
O13(4f)-2
O14(4f)-2
O15(2e)-2
O16(4f)-2
O17(4f)-2
O18(2e)-2
O19(4f)-2
O20(4f)-2
O21(4f)-2
O22(2e)-2
O23(4f)-2
O24(2e)-2
O25(4f)-2
O26(2e)-2
O27(2e)-2
O28(4f)-2
O29(4f)-2
O30(2e)-2
O31(4f)-2
O32(2e)-2
O33(4f)-2
O34(2e)-2
O35(4f)-2
O36(2e)-2
O37(4f)-2
O38(4f)-2
O39(4f)-2
O40(4f)-2
O41(4f)-2
O42(4f)-2
O43(4f)-2
O44(2e)-2
O45(4f)-2
O46(2e)-2
O47(4f)-2
O48(4f)-2
O49(4f)-2
O50(2e)-2
O51(2e)-2
O52(2e)-2
O53(2e)-2
O54(4f)-2
O55(4f)-2
O56(4f)-2
O57(4f)-2
O58(4f)-2
O59(4f)-2
O60(4f)-2
O61(4f)-2
O62(4f)-2
O63(4f)-2
O64(4f)-2
P1(2e)5
P2(2e)5
Zr1(2e)4
H1(4*)1
0.660.340.440.011
1.020.330.390.011
1.100.330.580.011
0.870.420.520.011
0.710.340.630.011
0.950.250.700.011
0.900.330.150.021
0.610.340.190.011
0.970.250.000.021
0.700.430.030.021
0.430.250.090.021
0.770.33-.100.061
0.520.34-.060.031
0.060.390.840.161.
0.240.320.760.151.
0.200.390.070.101.
0.720.310.370.011
0.920.310.320.011
0.770.330.210.021
1.100.380.350.021
1.090.250.370.011
0.920.250.440.011
0.930.390.440.011
0.880.510.510.021
0.810.310.520.011
0.730.420.460.011
0.620.250.460.011
0.540.370.410.021
0.620.350.550.011
0.650.370.700.021
0.680.250.630.011
0.790.420.600.011
0.850.310.680.011
0.970.250.570.011
0.980.390.570.011
1.100.330.490.011
1.200.380.600.021
1.180.250.590.011
1.060.310.680.011
0.960.250.790.011
0.970.390.210.021
0.920.250.200.031
0.630.250.240.021
0.590.390.260.031
0.470.310.160.031
0.300.250.090.031
0.630.390.120.031
0.630.250.110.021
0.820.390.090.031
0.810.250.070.021
0.990.310.090.031
1.090.25-.010.041
0.910.31-.040.031
0.770.42-.030.041
0.680.310.000.031
0.710.510.060.031
0.460.310.020.031
0.410.37-.100.031
0.570.42-.000.031
0.510.25-.080.031
0.620.36-.120.041
0.760.25-.130.041
0.830.37-.170.041
0.310.460.780.081.
0.180.540.680.041.
0.560.750.430.141.
0.560.750.670.131.
0.840.750.760.081.
0.440.750.230.031.
0.440.420.570.090.5
0.300.410.450.081.
0.190.490.250.121.
0.310.270.440.050.5
0.400.450.090.031.
0.260.360.210.100.5
0.440.520.210.091.
0.440.470.340.070.5
0.390.330.700.101.
0.970.560.010.131.
0.990.530.280.091.
0.880.250.510.011
0.700.250.040.011
0.790.250.290.011
038.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Mo1(4f)6
Mo2(4f)6
Mo3(4f)6
Mo4(4f)6
Mo5(4f)6
Mo6(2e)6
Mo7(4f)6
Mo8(4f)6
Mo9(2e)6
Mo10(4f)6
Mo11(2e)6
Mo12(4f)6
Mo13(4f)6
N1(4f)-3
N2(4f)-3
N3(4f)-3
O1(4f)-2
O2(4f)-2
O3(4f)-2
O4(4f)-2
O5(2e)-2
O6(2e)-2
O7(4f)-2
O8(4f)-2
O9(4f)-2
O10(4f)-2
O11(2e)-2
O12(4f)-2
O13(4f)-2
O14(4f)-2
O15(2e)-2
O16(4f)-2
O17(4f)-2
O18(2e)-2
O19(4f)-2
O20(4f)-2
O21(4f)-2
O22(2e)-2
O23(4f)-2
O24(2e)-2
O25(4f)-2
O26(2e)-2
O27(2e)-2
O28(4f)-2
O29(4f)-2
O30(2e)-2
O31(4f)-2
O32(2e)-2
O33(4f)-2
O34(2e)-2
O35(4f)-2
O36(2e)-2
O37(4f)-2
O38(4f)-2
O39(4f)-2
O40(4f)-2
O41(4f)-2
O42(4f)-2
O43(4f)-2
O44(2e)-2
O45(4f)-2
O46(2e)-2
O47(4f)-2
O48(4f)-2
O49(4f)-2
O50(2e)-2
O51(2e)-2
O52(2e)-2
O53(2e)-2
O54(4f)-2
O55(4f)-2
O56(4f)-2
O57(4f)-2
O58(4f)-2
O59(4f)-2
O60(4f)-2
O61(4f)-2
O62(4f)-2
O63(4f)-2
O64(4f)-2
P1(2e)5
P2(2e)5
Zr1(2e)4
H1(4*)1
0.010.020.000.00-0.0-0.0
0.010.020.00-0.00.000.00
0.020.020.00-0.0-0.00.00
0.020.010.02-0.00.000.00
0.010.010.000.000.00-0.0
0.010.020.0000.000
0.030.010.00-0.0-0.00.00
0.020.010.000.00-0.0-0.0
0.020.010.0100.000
0.040.010.010.00-0.00.00
0.020.020.0100.000
0.080.060.04-0.00.000.00
0.040.020.010.01-0.0-0.0
000000
000000
000000
0.020.010.000.00-0.0-0.0
0.010.010.000.000.00-0.0
0.020.030.02-0.0-0.00.01
0.020.030.01-0.00.000.00
0.020.020.0100.000
000000
0.020.010.01-0.00.000.00
0.020.010.02-0.00.000.00
0.010.010.010.000.000.00
0.020.010.010.00-0.00.00
0.010.020.010-0.00
0.020.030.010.00-0.0-0.0
0.010.020.01-0.00.00-0.0
0.020.020.01-0.00.00-0.0
0.010.010.010-0.00
0.020.010.01-0.00.00-0.0
0.010.020.000.000.00-0.0
0.010.010.0100.000
0.020.010.01-0.00.000.00
0.010.020.00-0.00.00-0.0
0.020.030.01-0.0-0.00.00
0.010.020.010-0.00
0.010.020.00-0.0-0.0-0.0
0.010.030.000-0.00
0.030.030.01-0.00.00-0.0
0.050.010.0100.000
0.020.010.020-0.00
0.050.020.010.02-0.0-0.0
0.040.020.03-0.0-0.00.00
0.020.040.040-0.00
0.030.040.020.00-0.00.01
0.040.020.010-0.00
0.030.040.02-0.0-0.00.01
0.040.020.0100.000
0.050.020.03-0.00.000.00
0.030.050.0300.000
0.050.010.030.00-0.00.00
0.040.060.020.010.00-0.0
0.040.020.020.00-0.00.00
0.040.020.040.000.01-0.0
0.050.030.010.000.00-0.0
0.040.030.010.01-0.0-0.0
0.030.030.020.01-0.0-0.0
0.050.020.0100.010
0.030.030.040.000.01-0.0
0.030.040.050-0.00
0.060.030.02-0.0-0.00.00
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
0.010.010.0000.000
0.020.010.000-0.00
0.020.010.000-0.00
000000

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