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ICSD for WWW : Details

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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=412856 Help
TitleBeitraege zur Kristallchemie und zum thermischen Verhalten von wasserfreien Phosphaten. XXXIII. In2 P2 O7, ein Indium(I)-diphosphato-indat(III) und In4 (P2 O7)3 - Darstellung, Kristallisation und Kristallstrukturen.
AuthorsThauern, H.;Glaum, R.
ReferenceZeitschrift fuer Anorganische und Allgemeine Chemie (2003) 629, 479-486
Link XRef SCOPUS SCIRUS Google
CompoundIn4 O21 P6 - Tetraindium tris(diphosphate(V)) [A4B6X21] [mP124] [e31] []
Cell13.248(3), 9.7576(14), 13.442(2), 90., 108.938(14), 90.
P121/A1 (14) V=1643.57
RemarksR=0.027000 :

Atom (site) Oxid. x, y, z, B, Occupancy
In1(4e)3
In2(4e)3
In3(4e)3
In4(4e)3
P1(4e)5
P2(4e)5
P3(4e)5
P4(4e)5
P5(4e)5
P6(4e)5
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
O14(4e)-2
O15(4e)-2
O16(4e)-2
O17(4e)-2
O18(4e)-2
O19(4e)-2
O20(4e)-2
O21(4e)-2
0.481514(11)0.778883(17)0.479918(11)0.00623(4)1
0.279790(11)0.727841(16)0.267666(12)0.00633(4)1
0.019643(12)0.260246(17)0.022874(11)0.00636(4)1
0.221860(11)0.243580(16)0.233426(11)0.00608(4)1
-.01659(4)0.35803(6)0.26087(4)0.00563(9)1
-.01089(4)0.32594(6)-.23458(4)0.00584(9)1
0.32962(4)0.46917(6)0.42279(4)0.00494(9)1
0.19513(4)0.51698(6)0.06525(4)0.00624(9)1
0.29808(4)1.02012(6)0.43408(4)0.00574(9)1
-.17449(4)0.02991(6)-.07568(4)0.00556(9)1
0.04077(15)0.2726(2)-.12426(14)0.0141(3)1
0.46124(15)0.8384(2)0.62283(13)0.0145(3)1
0.34886(12)0.62437(17)0.41576(13)0.0077(3)1
0.56929(15)0.6098(2)0.54232(18)0.0177(4)1
0.04650(13)0.29003(19)0.19624(13)0.0097(3)1
0.04379(13)0.25611(18)-.30674(13)0.0073(3)1
-.13047(14)0.3110(2)0.22311(16)0.0155(3)1
0.34313(13)0.89548(18)0.39265(12)0.0081(3)1
-.12949(13)0.3108(2)-.27862(16)0.0165(4)1
0.22271(15)1.1043(2)0.34871(15)0.0146(3)1
-.13603(13)-.10887(18)-.10387(13)0.0096(3)1
0.28044(16)0.5854(2)0.15321(16)0.0164(3)1
0.17589(14)0.36803(19)0.09055(13)0.0113(3)1
0.25248(17)0.4221(2)0.31977(14)0.0164(4)1
0.38675(15)1.0993(2)0.51094(15)0.0149(3)1
-.08983(15)0.1026(2)0.00950(15)0.0154(3)1
-.22579(19)0.1072(2)-.17434(16)0.0220(4)1
-.01966(17)0.5166(2)0.23308(17)0.0188(4)1
0.72531(16)0.5521(2)0.49138(15)0.0145(3)1
0.23227(15)0.5111(3)-.03347(15)0.0206(4)1
0.09057(16)0.5884(2)0.02742(19)0.0236(4)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
In1(4e)3
In2(4e)3
In3(4e)3
In4(4e)3
P1(4e)5
P2(4e)5
P3(4e)5
P4(4e)5
P5(4e)5
P6(4e)5
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
O14(4e)-2
O15(4e)-2
O16(4e)-2
O17(4e)-2
O18(4e)-2
O19(4e)-2
O20(4e)-2
O21(4e)-2
0.00480(6)0.00807(7)0.00439(6)0.00103(4)-0.00050(4)-0.00012(4)
0.00353(6)0.00879(7)0.00537(6)-0.00026(4)-0.00035(4)0.00166(4)
0.00485(6)0.00872(7)0.00424(6)0.00113(4)-0.00028(5)0.00021(4)
0.00438(6)0.00795(7)0.00463(6)0.00082(4)-0.00032(5)-0.00046(4)
0.00412(19)0.0084(2)0.0050(2)-0.00040(15)0.00235(16)-0.00050(17)
0.00403(19)0.0092(2)0.0049(2)0.00075(16)0.00230(16)0.00053(17)
0.00409(19)0.0059(2)0.00503(19)0.00043(15)0.00182(15)0.00018(16)
0.0053(2)0.0069(2)0.0075(2)0.00042(16)0.00344(16)0.00082(17)
0.0063(2)0.0065(2)0.00526(19)0.00095(16)0.00312(16)0.00029(17)
0.0057(2)0.0061(2)0.00473(19)0.00068(15)0.00144(16)-0.00012(16)
0.0158(8)0.0214(9)0.0056(6)0.0050(6)0.0041(6)0.0035(6)
0.0149(8)0.0235(9)0.0047(6)0.0026(6)0.0027(6)-0.0013(6)
0.0069(6)0.0063(6)0.0080(6)-0.0008(5)-0.0002(5)0.0018(5)
0.0095(7)0.0131(8)0.0301(10)0.0057(6)0.0059(7)0.0070(7)
0.0064(6)0.0165(8)0.0066(6)0.0027(5)0.0028(5)-0.0024(6)
0.0057(6)0.0117(7)0.0054(6)0.0016(5)0.0031(5)0.0003(5)
0.0051(6)0.0231(9)0.0184(8)-0.0037(6)0.0040(6)0.0005(7)
0.0077(6)0.0094(6)0.0064(6)0.0032(5)0.0013(5)-0.0017(5)
0.0032(6)0.0287(10)0.0178(8)-0.0013(6)0.0035(6)0.0011(8)
0.0150(8)0.0158(8)0.0135(7)0.0080(6)0.0053(6)0.0078(7)
0.0068(6)0.0089(7)0.0099(6)0.0031(5)-0.0014(5)-0.0031(6)
0.0152(8)0.0174(8)0.0169(8)-0.0074(6)0.0058(6)-0.0081(7)
0.0126(7)0.0102(7)0.0080(6)-0.0046(5)-0.0009(5)0.0030(6)
0.0236(9)0.0124(8)0.0083(7)-0.0023(6)-0.0016(6)-0.0038(6)
0.0144(8)0.0165(8)0.0130(7)-0.0070(6)0.0034(6)-0.0054(6)
0.0138(8)0.0144(8)0.0155(8)-0.0065(6)0.0012(6)-0.0055(7)
0.0341(11)0.0148(9)0.0119(8)0.0068(8)0.0005(7)0.0071(7)
0.0243(9)0.0082(7)0.0242(9)-0.0005(6)0.0082(8)0.0007(7)
0.0221(9)0.0110(7)0.0169(8)0.0021(6)0.0154(7)0.0010(6)
0.0112(7)0.0410(13)0.0131(8)0.0063(8)0.0087(6)0.0077(8)
0.0137(8)0.0248(10)0.0327(11)0.0129(7)0.0080(8)0.0060(9)

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