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, 553-554
Link XRef SCOPUS 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 : T =173 : 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
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
0.190.220.340.021
0.160.020.250.021
0.140.460.350.021
0.110.230.460.011
0.080.030.360.011
0.070.480.250.011
0.040.250.350.011
0.110.240.250.001
0.10-.230.250.070.93
00.040.520.080.48
0.190.230.580.050.77
0.060.50.50.040.77
0-.010.250.050.48
0.220.230.410.031
0.150.200.420.021
0.190.080.330.021
0.210.240.250.021
0.170.360.340.021
0.17-.090.250.021
0.130.010.320.031
0.160.540.410.021
0.150.510.250.031
0.100.530.330.021
0.120.370.420.021
0.120.250.560.021
0.100.090.450.021
0.060.260.450.021
0.07-.080.390.031
0.040.100.370.021
0.070.020.250.021
0.040.580.250.031
0.050.380.330.021
00.260.390.021
0.030.220.250.011
0.150.190.250.011
0.110.360.250.011
0.090.210.320.011
0.1700.50.031.
0.210.320.750.081.
00.570.400.121.
0.26-.030.220.090.5
0.240.040.610.191.
0.220.460.490.110.5
-.03-.200.250.241.
0.010.200.580.270.5
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
0.000.030.02-0.0-0.0-0.0
0.010.020.030.0000
0.010.020.02-0.0-0.0-0.0
0.010.020.01-0.0-0.00.00
0.010.020.02-0.00.000.00
0.010.010.020.0000
0.000.020.020.000.00-0.0
0.000.010.010.0000
0.130.040.04-0.000
0.020.140.09000.08
0.020.090.04-0.0-0.00.00
0.030.040.0400-0.0
0.020.060.06000
0.020.070.020.00-0.00.00
0.000.030.04-0.0-0.00.01
0.000.030.030.01-0.00.00
000000
0.010.030.02-0.00.01-0.0
000000
0.020.040.040.000.000.02
0.010.030.01-0.0-0.0-0.0
0.040.020.010.0000
0.020.020.03-0.0-0.00.00
0.000.030.02-0.00.00-0.0
0.030.030.02-0.00.000.00
000000
0.020.020.030.000.000.00
0.020.020.04-0.0-0.00.01
0.010.030.02-0.00.000.00
0.010.020.020.0100
0.010.040.050.0200
0.010.020.04-0.0-0.00.00
0.000.020.04000.00
000000
000000
0.000.010.010.0000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000

Demo database
Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).