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ICSD for WWW : Details

ICSD for WWW

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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=408792 Help
TitleSynthesis and crystal structures of two new cobalt 42-oxododecatungstates, (Co4 Na (H2 O)21) (H (H2 W12 O42)) . 18(H2 O) and (Co5 (H2 O)22) (H2 W12 O42) . 12(H2 O).
AuthorsZak, Z.;Perutka, J.;Havel, J.;Cisarova, I.;Giester, G.
ReferenceJournal of Alloys Compd. (1998) 281, 169-174
Link XRef SCOPUS SCIRUS Google
CompoundH70 Co5 O76 W12 - 22-aquapentacobalt dihydrogendodecatungstate dodecahydrate [A5B12X76] [mS652] [f45 e d a] []
Cell26.1430(40), 14.998(3), 22.0380(40), 90., 125.66(3), 90.
C12/C1 (15) V=7020.69
RemarksR=0.059700 : TEM =298 :

Atom (site) Oxid. x, y, z, B, Occupancy
W1(8f)6
W2(8f)6
W3(8f)6
W4(8f)6
W5(8f)6
W6(8f)6
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
Co1(4e)2
O22(8f)-2
O23(8f)-2
Co2(4a)2
O24(8f)-2
O25(8f)-2
Co3(4d)2
O26(8f)-2
O27(8f)-2
Co4(8f)2
O28(8f)-2
O29(8f)-2
O30(8f)-2
O31(8f)-2
O32(8f)-2
O33(8f)-2
O34(8f)-2
O35(8f)-2
O36(8f)-2
O37(8f)-2
O38(8f)-2
H1(4*)1
0.10606(4)0.10066(6)-.04018(5)01
0.13090(4)0.33435(6)0.02056(5)01
0.25784(4)0.20625(6)0.12895(5)01
0.36593(4)0.04767(6)0.12330(5)01
0.22660(4)-.03135(6)0.06947(5)01
0.22702(4)0.08861(6)-.08000(5)01
0.0429(7)0.0787(10)-.1342(9)0.023(4)1
0.2016(6)0.1137(9)0.0648(8)0.013(3)1
0.1642(7)0.1345(10)-.0802(9)01
0.0741(8)0.0686(11)0.0071(8)01
0.1487(7)-.0116(10)-.0268(8)01
0.0981(6)0.2234(9)-.0368(8)01
0.0685(7)0.3717(11)0.0200(9)01
0.1751(7)0.2641(10)0.1057(9)01
0.2165(6)0.2873(9)0.0256(8)0.013(3)1
0.2880(7)0.3274(10)0.1571(8)01
0.2830(7)0.1698(10)0.2168(8)01
0.3198(7)0.1722(9)0.1222(8)0.016(3)1
0.3837(8)-.0581(11)0.1069(10)01
0.3902(6)0.118(1)0.0721(8)01
0.3095(7)0.0029(11)0.1475(8)01
0.2715(6)0.0425(9)0.0168(7)0.011(3)1
0.4288(7)0.0664(11)0.2152(10)01
0.1976(7)-.0593(10)0.1204(9)01
0.2434(8)-.1336(10)0.0490(9)01
0.1925(7)-.0072(10)-.1386(8)01
0.3117(7)0.0724(10)-.0685(8)01
00.0743(3)-.2501
-.0628(8)-.0283(11)-.2678(10)01
-.0652(8)0.1685(12)-.2645(9)01
00001
0.0440(12)-.1204(15)0.0071(13)01
0.0503(9)-.0015(13)0.1173(9)01
0.25-.25001
0.2023(10)-.1889(12)-.1045(10)01
0.1637(8)-.2949(12)-.0234(11)01
0.32657(16)0.1288(2)0.32619(18)01
0.4042(9)0.2114(13)0.3656(10)01
0.2900(9)0.2343(14)0.3507(11)01
0.2448(10)0.0497(13)0.283(1)01
0.3677(11)0.0273(13)0.3038(11)01
0.3684(12)0.0841(14)0.4359(10)01
0.4208(11)-.3368(18)0.097(2)01.
0.1254(14)-.300(2)-.2233(18)01.
0.1391(11)0.1362(16)0.1684(13)01.
0.2066(11)0.3510(15)0.2368(12)01.
-.0179(8)0.3112(12)-.1767(10)01.
-.1451(8)0.1186(11)-.1919(9)01.
070.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
W1(8f)6
W2(8f)6
W3(8f)6
W4(8f)6
W5(8f)6
W6(8f)6
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
Co1(4e)2
O22(8f)-2
O23(8f)-2
Co2(4a)2
O24(8f)-2
O25(8f)-2
Co3(4d)2
O26(8f)-2
O27(8f)-2
Co4(8f)2
O28(8f)-2
O29(8f)-2
O30(8f)-2
O31(8f)-2
O32(8f)-2
O33(8f)-2
O34(8f)-2
O35(8f)-2
O36(8f)-2
O37(8f)-2
O38(8f)-2
H1(4*)1
0.0125(4)0.0171(5)0.0135(5)-.0050(4)0.0083(4)-.0031(4)
0.0137(5)0.0178(5)0.0180(5)-.0014(4)0.0101(4)-.0021(4)
0.0149(5)0.0123(4)0.0121(5)-.0028(3)0.0083(4)-.0016(3)
0.0152(5)0.0156(5)0.0166(5)-.0006(4)0.0077(4)0.0003(4)
0.0179(5)0.0120(5)0.0167(5)-.0026(4)0.0103(4)-.0008(4)
0.0129(4)0.0129(4)0.0116(4)-.0021(3)0.0072(4)-.0017(3)
000000
000000
0.016(8)0.017(8)0.028(9)-.003(7)0.010(7)-.004(7)
0.033(10)0.038(10)0.009(8)-.019(8)0.016(8)-.010(7)
0.030(9)0.013(8)0.020(8)0.011(7)0.012(8)0.005(7)
0.015(8)0.013(8)0.023(8)0.007(6)0.017(7)0.005(6)
0.024(9)0.034(10)0.023(9)-.002(8)0.017(8)-.013(8)
0.012(8)0.015(8)0.029(9)-.012(6)0.013(7)-.006(7)
000000
0.019(8)0.020(8)0.013(8)0.009(7)0.010(7)0.008(7)
0.019(8)0.025(9)0.021(9)-.007(7)0.013(7)0.001(7)
000000
0.028(10)0.020(9)0.038(10)0.005(7)0.019(9)-.001(8)
0.006(7)0.031(9)0.016(8)0.004(6)0.007(7)0.001(7)
0.017(8)0.039(10)0.005(7)-.017(7)0.005(7)-.014(7)
000000
0.010(8)0.032(10)0.027(10)-.011(7)-.009(8)0.006(8)
0.019(9)0.023(9)0.032(10)0.007(7)0.018(8)0.007(7)
0.032(10)0.018(8)0.031(10)0.004(7)0.020(8)0.000(7)
0.010(8)0.021(8)0.021(8)0.008(6)0.007(7)0.002(7)
0.027(9)0.014(8)0.014(8)-.007(7)0.006(7)0.001(6)
0.020(2)0.025(2)0.015(2)00.010(2)0
0.020(9)0.027(10)0.037(11)-.006(8)0.002(8)-.001(8)
0.024(9)0.050(11)0.023(9)0.015(8)0.015(8)0.004(8)
0.017(2)0.025(2)0.025(2)-.0028(19)0.014(2)0.001(2)
0.092(18)0.055(14)0.065(15)0.025(13)0.062(15)0.013(12)
0.049(12)0.048(11)0.015(9)0.002(9)0.022(9)0.005(8)
0.030(3)0.013(2)0.025(2)-.0006(19)0.020(2)-.0002(18)
0.060(13)0.025(10)0.03(1)0.009(9)0.023(10)0.011(8)
0.033(10)0.029(10)0.063(13)-.013(8)0.037(10)-.018(9)
0.0309(19)0.0236(18)0.0196(17)-.0060(14)0.0156(15)-.0005(14)
0.048(12)0.045(12)0.026(10)-.003(9)0.023(9)-.005(9)
0.051(13)0.058(13)0.052(13)0.015(10)0.045(11)0.001(10)
0.056(13)0.050(12)0.025(10)-.039(11)0.017(10)-.016(9)
0.080(16)0.032(11)0.043(12)0.024(11)0.041(12)0.018(9)
0.108(19)0.047(13)0.014(10)-.020(13)0.030(12)0.007(9)
0.030(14)0.052(17)0.22(4)-.001(12)0.022(19)-.05(2)
0.08(2)0.10(2)0.11(2)-.008(17)0.051(19)-.04(2)
0.059(15)0.070(16)0.058(14)-.033(12)0.036(12)0.009(12)
0.065(15)0.054(14)0.041(12)0.021(12)0.024(12)0.000(11)
0.024(9)0.041(11)0.038(11)0.000(8)0.017(9)-.006(9)
0.032(10)0.031(10)0.023(9)0.007(8)0.012(8)0.016(8)
000000

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