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ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


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=281461 Help
TitleDimerization of A - alpha - (Si Nb3 W9 O40)(7-) by pH-controlled formation of individual Nb - mue - O - Nb linkages.
AuthorsKim, G.-S.; Zeng, H.-D.; Neiwert, W.A.; Cowan, J.J.; van Derveer, D.; Hill, C.L.; Weinstock, I.A.
ReferenceInorganic Chemistry (2003) 42, 5537-5544
Link XRef SCOPUS SCIRUS Google
CompoundH38 Cs8 Nb6 O96 Si2 W18 - Octacaesium dihydrogen octadecatunstohexaniobodisilicate octadecahydrate [AB3C4D9X48] [oS672] [h25 g14 f3 e2 c] []
Cell40.847(2), 13.2130(7), 16.8179(9), 90., 90., 90.
CMCM (63) V=9076.81
RemarksR=0.068500 : TEM =173 : DEF
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
W1(16h)6
W2(8g)6
W3(16h)6
W4(16h)6
W5(16h)6
Nb1(8g)5
Nb2(16h)5
Si1(8g)4
Cs1(8g)1
Cs2(8f)1
Cs3(16h)1
Cs4(8e)1
Cs5(4c)1
O1(16h)-2
O2(16h)-2
O3(16h)-2
O4(8g)-2
O5(16h)-2
O6(8g)-2
O7(16h)-2
O8(16h)-2
O9(8g)-2
O10(16h)-2
O11(16h)-2
O12(16h)-2
O13(16h)-2
O14(16h)-2
O15(16h)-2
O16(16h)-2
O17(8g)-2
O18(8g)-2
O19(16h)-2
O20(8f)-2
O21(8g)-2
O22(8g)-2
O23(8g)-2
O24(16h)-2
O25(8e)-2
O26(8g)-2
O27(8f)-2
O28(16h)-2
O29(16h)-2
O30(16h)-2
O31(8g)-2
O32(16h)-2
H1(16*)1
0.19202(2)0.22869(7)0.34995(5)0.0222(2)1
0.16411(3)0.02377(9)0.250.0226(3)1
0.14337(2)0.46612(6)0.35031(5)0.0226(2)1
0.11392(2)0.23932(6)0.46219(5)0.0198(2)1
0.08575(2)0.03623(6)0.36103(5)0.0194(2)1
0.07157(6)0.4823(2)0.250.0196(6)1
0.04376(4)0.25493(13)0.35924(11)0.0177(4)1
0.1157(2)0.2470(5)0.250.0092(14)1
0.10983(10)-.2398(2)0.250.0743(14)0.933(9)
00.0418(5)0.5268(4)0.087(3)0.488(7)
0.19964(5)0.2300(2)0.58878(14)0.0555(9)0.770(5)
0.06216(7)0.50.50.0413(10)0.776(6)
0-.0111(6)0.250.052(3)0.484(10)
0.2243(4)0.2334(11)0.4135(9)0.039(4)1
0.1577(3)0.207(1)0.4211(8)0.027(3)1
0.1926(3)0.0853(10)0.3306(8)0.024(3)1
0.2144(5)0.2470(13)0.250.029(5)1
0.1782(3)0.3629(10)0.3416(8)0.025(3)1
0.1775(5)-.0997(14)0.250.026(5)1
0.1314(3)0.0147(11)0.3268(9)0.037(4)1
0.1623(3)0.5487(10)0.4138(8)0.025(3)1
0.1591(5)0.5166(14)0.250.030(5)1
0.1036(3)0.5321(10)0.3326(8)0.028(3)1
0.1225(3)0.3732(10)0.4220(8)0.024(3)1
0.1220(3)0.2516(9)0.5613(9)0.029(4)1
0.1049(3)0.0993(9)0.4542(8)0.025(3)1
0.0686(3)0.2670(9)0.4599(8)0.025(3)1
0.0755(3)-.0808(10)0.3920(9)0.032(4)1
0.0460(3)0.1025(10)0.3797(8)0.022(3)1
0.0763(4)0.0256(13)0.250.021(4)1
0.0439(5)0.5810(15)0.250.037(6)1
0.0539(3)0.3875(9)0.3323(8)0.025(3)1
00.2625(13)0.3979(12)0.026(5)1
0.0363(4)0.2238(12)0.250.013(4)1
0.1527(4)0.1972(13)0.250.018(4)1
0.1185(4)0.3690(12)0.250.012(4)1
0.0960(3)0.2112(8)0.3289(7)0.016(3)1
0.1740(5)00.50.031(5)1.
0.2185(8)0.3206(22)0.750.086(10)1.
00.5766(28)0.4028(24)0.126(14)1.
0.2673(9)-.0305(27)0.2279(31)0.099(17)0.5
0.2406(10)0.0424(27)0.6185(23)0.194(15)1.
0.2243(11)0.4636(33)0.4978(40)0.118(21)0.5
-.0337(16)-.2080(46)0.250.245(29)1.
0.0141(25)0.2031(59)0.5898(55)0.275(51)0.5
09.5
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
W1(16h)6
W2(8g)6
W3(16h)6
W4(16h)6
W5(16h)6
Nb1(8g)5
Nb2(16h)5
Si1(8g)4
Cs1(8g)1
Cs2(8f)1
Cs3(16h)1
Cs4(8e)1
Cs5(4c)1
O1(16h)-2
O2(16h)-2
O3(16h)-2
O4(8g)-2
O5(16h)-2
O6(8g)-2
O7(16h)-2
O8(16h)-2
O9(8g)-2
O10(16h)-2
O11(16h)-2
O12(16h)-2
O13(16h)-2
O14(16h)-2
O15(16h)-2
O16(16h)-2
O17(8g)-2
O18(8g)-2
O19(16h)-2
O20(8f)-2
O21(8g)-2
O22(8g)-2
O23(8g)-2
O24(16h)-2
O25(8e)-2
O26(8g)-2
O27(8f)-2
O28(16h)-2
O29(16h)-2
O30(16h)-2
O31(8g)-2
O32(16h)-2
H1(16*)1
0.0064(4)0.0338(5)0.0263(5)-0.0008(3)-0.0021(3)-0.0001(4)
0.0106(6)0.0270(6)0.0302(7)0.0037(5)00
0.0174(5)0.0243(4)0.0262(5)-0.0048(4)-0.0011(4)-0.0028(4)
0.0107(4)0.0295(5)0.0193(4)-0.0020(4)-0.0014(3)0.0001(3)
0.0134(4)0.0230(4)0.0219(5)-0.0017(3)0.0001(3)0.0022(3)
0.0138(13)0.0184(13)0.0266(15)0.0007(11)00
0.0063(8)0.0259(9)0.0208(10)0.0006(7)0.0014(7)-0.0006(8)
0.002(3)0.010(3)0.016(4)0.001(3)00
0.138(4)0.040(2)0.045(2)-0.024(2)00
0.028(3)0.141(8)0.093(6)000.081(5)
0.0297(13)0.095(2)0.0415(14)-0.0019(12)-0.0030(9)0.0062(12)
0.035(2)0.044(2)0.045(2)00-0.0183(13)
0.025(4)0.064(5)0.067(5)000
0.021(9)0.070(11)0.025(9)0.000(8)-0.012(7)0.008(8)
0.009(7)0.033(8)0.040(9)-0.003(6)-0.010(6)0.017(7)
0.005(7)0.035(8)0.034(9)0.012(6)-0.001(6)0.002(7)
000000
0.015(8)0.032(8)0.028(8)-0.018(6)0.012(6)-0.014(6)
000000
0.021(9)0.044(9)0.044(10)0.002(8)0.002(7)0.023(8)
0.019(8)0.036(8)0.019(8)-0.010(6)-0.006(6)-0.011(6)
0.049(15)0.029(11)0.011(10)0.001(10)00
0.029(9)0.025(8)0.031(9)-0.003(7)-0.001(7)0.001(6)
0.006(7)0.038(8)0.026(8)-0.008(6)0.001(6)-0.002(7)
0.030(9)0.031(8)0.026(9)-0.007(7)0.008(7)0.000(7)
000000
0.021(8)0.023(7)0.032(9)0.001(6)0.004(6)0.004(6)
0.028(9)0.024(8)0.045(10)-0.007(7)-0.012(7)0.015(7)
0.013(7)0.031(8)0.023(8)-0.004(6)0.002(6)0.003(6)
0.017(11)0.023(10)0.023(11)0.013(9)00
0.018(12)0.041(13)0.053(16)0.022(10)00
0.012(7)0.021(7)0.041(9)-0.003(6)-0.005(6)0.003(6)
0.003(10)0.028(11)0.046(14)000.00(1)
000000
000000
0.003(9)0.016(9)0.018(10)0.002(7)00
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000

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