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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=26361 Help
TitleGuanidinium heptamolybdate monohydrate.
AuthorsDon, A.;Weakley, T.J.R.
ReferenceActa Crystallographica B (1981) 37, 451-453
Link XRef SCOPUS SCIRUS Google
CompoundC6 H38 Mo7 N18 O25 - Hexaguanidinium heptamolybdate hydrate [A6B7X18Y25] [mS376] [f29 e3] []
Cell11.979(7), 15.955(15), 19.923(18), 90., 92.27(5), 90.
C12/C1 (15) V=3804.79
RemarksR=0.091000 : 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.
Calculated density unusual but tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Mo1(4e)6
Mo2(8f)6
Mo3(8f)6
Mo4(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
N1(8f)-3
N2(8f)-3
N3(8f)-3
N4(8f)-3
N5(8f)-3
N6(8f)-3
N7(8f)-3
N8(4e)-3
N9(8f)-3
N10(8f)-3
N11(8f)-3
C1(8f)4
C2(8f)4
C3(4e)4
C4(8f)4
O13(8f)-2
H1(8f)1
0.50.4549(1)0.2501
0.2956(1)0.4230(1)0.3626(1)01
0.5212(1)0.3157(1)0.3805(1)01
0.7229(1)0.3212(1)0.2758(1)01
0.4165(11)0.5216(9)0.2948(8)0.032(3)1
0.6021(10)0.4168(9)0.3179(7)0.027(3)1
0.4049(9)0.3532(8)0.3018(7)0.022(2)1
0.2184(13)0.3508(12)0.4028(9)0.044(4)1
0.2425(13)0.5194(11)0.3881(9)0.043(4)1
0.4317(11)0.4134(10)0.4151(8)0.033(3)1
0.6241(13)0.3317(11)0.4433(9)0.041(4)1
0.4438(13)0.2331(12)0.4086(9)0.041(4)1
0.6043(11)0.2564(9)0.3170(8)0.029(3)1
0.2197(11)0.4182(9)0.2753(8)0.031(3)1
0.7829(12)0.2412(11)0.2329(8)0.039(4)1
0.8131(12)0.3404(10)0.3435(8)0.036(3)1
0.1247(15)0.0381(14)0.4479(11)0.041(4)1
0.2391(17)0.0591(15)0.3573(12)0.049(5)1
0.2523(17)0.1466(15)0.4513(12)0.048(5)1
-.1214(17)0.1682(15)0.4124(12)0.049(5)1
0.0108(17)0.1894(15)0.3352(12)0.047(5)1
0.0189(15)0.2622(13)0.4339(11)0.039(4)1
0.5939(16)0.0915(15)0.2682(11)0.048(5)1
0.5-.0282(23)0.250.054(8)1
0.1593(37)0.4150(34)0.0184(25)0.044(10)0.5
0.0279(38)0.4983(36)0.0372(28)0.060(12)0.5
0.0074(38)0.4587(38)0.0751(28)0.061(12)0.5
0.2065(18)0.0801(15)0.4201(12)0.039(5)1
-.0303(16)0.2063(13)0.3912(12)0.032(4)1
0.50.0511(20)0.250.034(6)1
0.0668(31)0.4625(27)0.0192(22)0.030(8)0.5
-.1534(39)0.6162(39)-.0058(28)0.068(14)0.5
019.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Mo1(4e)6
Mo2(8f)6
Mo3(8f)6
Mo4(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
N1(8f)-3
N2(8f)-3
N3(8f)-3
N4(8f)-3
N5(8f)-3
N6(8f)-3
N7(8f)-3
N8(4e)-3
N9(8f)-3
N10(8f)-3
N11(8f)-3
C1(8f)4
C2(8f)4
C3(4e)4
C4(8f)4
O13(8f)-2
H1(8f)1
0.0231(10)0.0199(9)0.0264(12)0-.0020(8)0
0.0260(8)0.0327(8)0.0323(8)-.0013(6)0.0029(6)-.0083(7)
0.0279(9)0.0291(8)0.0248(9)-.0023(5)-.0019(6)0.0032(7)
0.0227(8)0.0256(8)0.0290(9)0.0026(5)-.0038(6)0.0036(7)
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