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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=280916 Help
TitleA new quaternary thiophosphate, Rb Nb2 (S2)3 (P S4).
AuthorsKim, C.;Yun, H.
ReferenceActa Crystallographica C (2002) 58, i53-i54
Link XRef SCOPUS SCIRUS Google
CompoundNb2 P1 Rb1 S10 - Rubidium catena-tris(perthio)tetrathiophosphato(V)- diniobate [ABC2X4Y6] [mP28] [a14] []
Cell12.773(3), 7.529(2), 7.108(2), 90., 104.37(2), 90.
P1N1 (7) V=662.18
RemarksR=0.039000 : MXD =S :
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
Rb1(2a)1
Nb1(2a)4
Nb2(2a)4
P1(2a)5
S1(2a)-1
S2(2a)-1
S3(2a)-1
S4(2a)-2
S5(2a)-1
S6(2a)-1
S7(2a)-2
S8(2a)-1
S9(2a)-2
S10(2a)-2
0.0101(2)0.0072(3)-.2556(3)0.0450(6)1
-.00311(10)0.43829(17)0.27041(14)0.0141(4)1
-.21457(10)0.56236(17)0.06501(15)0.0143(4)1
0.1698(3)0.0986(5)0.2953(6)0.0187(8)1
-.0934(3)0.3854(6)-.0850(5)0.0200(9)1
-.1731(4)0.3697(6)0.3633(6)0.0246(10)1
-.0370(3)0.6358(6)-.0172(5)0.0206(9)1
0.1859(3)0.3577(5)0.2028(5)0.0166(8)1
0.0990(3)0.4494(5)0.6316(6)0.0203(9)1
-.1280(4)0.6277(6)0.4087(5)0.0237(10)1
0.0064(4)0.0928(5)0.2770(7)0.0223(9)1
0.1299(3)0.6617(5)0.4718(5)0.0191(8)1
-.2839(4)0.0878(6)-.3629(7)0.0339(10)1
0.2590(4)0.1003(6)0.5767(6)0.0237(9)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Rb1(2a)1
Nb1(2a)4
Nb2(2a)4
P1(2a)5
S1(2a)-1
S2(2a)-1
S3(2a)-1
S4(2a)-2
S5(2a)-1
S6(2a)-1
S7(2a)-2
S8(2a)-1
S9(2a)-2
S10(2a)-2
0.0682(14)0.0336(10)0.0357(9)0.002(1)0.0176(9)0.0058(8)
0.0143(7)0.0138(7)0.0157(7)0.0004(5)0.0065(5)0.0009(5)
0.0152(7)0.0134(7)0.0153(7)0.0006(5)0.0057(5)0.0016(5)
0.0169(19)0.0176(18)0.0203(18)0.0004(16)0.0021(15)-0.0009(15)
0.024(2)0.018(2)0.020(2)0.0004(17)0.0100(17)-0.0016(16)
0.023(2)0.029(3)0.024(2)-0.001(2)0.0111(17)0.0103(18)
0.022(2)0.020(2)0.021(2)-0.0003(18)0.0069(16)0.0049(16)
0.0170(19)0.016(2)0.0177(18)-0.0014(16)0.0060(15)-0.0009(15)
0.021(2)0.022(2)0.0196(18)0.0004(16)0.0088(15)0.0012(15)
0.027(2)0.030(3)0.0166(19)0.0077(19)0.0081(17)-0.0019(16)
0.0155(19)0.0153(18)0.035(2)-0.0027(17)0.0034(17)0.0015(18)
0.0181(18)0.0144(17)0.0245(18)0.0004(15)0.0046(15)-0.0008(14)
0.044(3)0.021(2)0.040(2)-0.006(2)0.015(2)0.0092(18)
0.024(2)0.0164(18)0.0256(19)0.0013(17)-0.0037(17)0.0029(17)

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