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ICSD for WWW : Details

ICSD for WWW

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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=411855 Help
TitleRubidium- und Caesium-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-) - Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A = Rb, Cs; n=0,4,14).
AuthorsHartl, H.;Pickhard, F.;Emmerling, F.;Roehr, C.
ReferenceZeitschrift fuer Anorganische und Allgemeine Chemie (2001) 627, 2630-2638
Link XRef SCOPUS SCIRUS Google
CompoundH8 O23 Rb8 Ta6 - Octarubidium hexatantalate tetrahydrate [A6B8X23] [mS180] [f17 e2 c] []
Cell12.169(4), 14.592(5), 14.147(4), 90., 90.734(6), 90.
C12/C1 (15) V=2511.88
RemarksR=0.065500 :

Atom (site) Oxid. x, y, z, B, Occupancy
Ta1(8f)5
Ta2(8f)5
Ta3(8f)5
Rb1(4e)1
Rb2(4e)1
Rb3(8f)1
Rb4(8f)1
Rb5(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(4c)-2
O11(8f)-2
O12(8f)-2
H1(8f)1
0.06246(5)0.26221(4)0.02876(4)01
0.23963(5)0.09358(4)0.02805(4)01
0.28593(5)0.27399(5)0.15735(4)01
00.16199(17)0.2501
00.65266(16)0.2501
0.03551(13)0.07357(13)0.62147(13)01
0.13219(14)0.40638(13)0.31480(12)01
0.27064(13)0.15934(13)0.41625(12)01
0.0802(9)0.2713(9)0.4468(9)01
0.2345(8)0.0237(7)0.5481(8)01
0.3168(8)0.2931(8)0.2766(8)01
0.0887(8)0.1324(7)0.0476(7)01
0.1255(9)0.2829(8)0.1545(8)01
0.3964(9)0.1113(8)0.0002(8)01
0.2737(8)0.1392(8)0.1551(7)01
0.4338(9)0.2602(8)0.1044(8)01
0.2905(8)0.3986(8)0.1081(7)01
0.250.25001
0.043(1)0.5227(9)0.1145(9)01.
0.1557(10)0.0306(9)0.2783(10)01.
04.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ta1(8f)5
Ta2(8f)5
Ta3(8f)5
Rb1(4e)1
Rb2(4e)1
Rb3(8f)1
Rb4(8f)1
Rb5(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(4c)-2
O11(8f)-2
O12(8f)-2
H1(8f)1
0.0057(3)0.0161(3)0.0107(3)0.0005(2)-.0004(2)-.0007(2)
0.0075(3)0.0130(3)0.0122(3)-.0003(2)-.0007(2)0.0006(2)
0.0080(3)0.0163(3)0.0090(3)-.0007(2)-.0013(2)-.0006(2)
0.0255(12)0.0216(12)0.0217(13)00.0058(9)0
0.0169(10)0.0199(11)0.0189(12)0-.0025(8)0
0.0163(8)0.0296(9)0.0280(9)0.0076(6)0.0004(7)0.0051(7)
0.0195(8)0.0303(10)0.0244(9)0.0026(7)-.0027(7)-.0067(7)
0.0212(8)0.0260(9)0.0231(9)0.0015(6)-.0016(7)0.0028(7)
0.010(5)0.037(8)0.021(7)0.007(5)0.008(5)0.002(6)
0.005(5)0.005(5)0.030(7)0.002(4)0.006(4)-.003(4)
0.010(5)0.023(6)0.016(6)-.005(4)-.002(4)-.002(5)
0.012(5)0.011(5)0.007(5)0.001(4)0.002(4)-.001(4)
0.015(6)0.020(6)0.017(6)-.003(4)0.000(5)0.009(5)
0.009(5)0.030(7)0.014(6)0.008(5)-.003(4)0.003(5)
0.016(5)0.017(6)0.006(5)-.002(4)0.003(4)-.006(4)
0.018(6)0.013(5)0.014(6)-.003(4)-.004(4)-.004(4)
0.003(4)0.021(6)0.008(5)-.002(4)-.005(4)0.003(4)
0.002(6)0.029(9)0.003(7)0.001(6)0.000(5)0.005(6)
0.022(6)0.024(7)0.031(7)0.001(5)0.000(5)-.009(6)
0.020(6)0.031(8)0.036(8)0.008(5)-.006(6)0.009(6)
000000

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