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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=27236 Help
TitlePreparations and X-ray Crystal Structures of Iodo-cyclo-heptasulfur Hexafluoroantimonate(V) and Hexafluoroarsenate(V), S7 I Sb F6 and S7 I As F6.
AuthorsPassmore, J.;Sutherland, G.W.;Taylor, P.;Whidden, T.K.;White, P.S.
ReferenceInorganic Chemistry (1981) 20, 3839-3845
Link XRef SCOPUS SCIRUS Google
CompoundAs1 F6 I1 S7 - Iodo-cyclo-heptasulfur hexafluoroarsenate [AB7XY6] [aP90] [i45] []
Cell15.516(11), 11.813(8), 11.650(8), 107.30(4), 74.71(5), 104.62(5)
P1- (2) V=1931.16
RemarksR=0.140000 :
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
I1(2i)-1
S1(2i)0.286
S2(2i)0.286
S3(2i)0.286
S4(2i)0.286
S5(2i)0.286
S6(2i)0.286
S7(2i)0.286
I2(2i)-1
S8(2i)0.286
S9(2i)0.286
S10(2i)0.286
S11(2i)0.286
S12(2i)0.286
S13(2i)0.286
S14(2i)0.286
I3(2i)-1
S15(2i)0.286
S16(2i)0.286
S17(2i)0.286
S18(2i)0.286
S19(2i)0.286
S20(2i)0.286
S21(2i)0.286
As1(2i)5
F1(2i)-1
F2(2i)-1
F3(2i)-1
F4(2i)-1
F5(2i)-1
F6(2i)-1
As2(2i)5
F7(2i)-1
F8(2i)-1
F9(2i)-1
F10(2i)-1
F11(2i)-1
F12(2i)-1
As3(2i)5
F13(2i)-1
F14(2i)-1
F15(2i)-1
F16(2i)-1
F17(2i)-1
F18(2i)-1
0.6274(4)0.4463(4)0.4306(4)01
0.6142(13)0.5346(13)0.6383(15)01
0.5315(13)0.4061(17)0.7350(15)01
0.5723(13)0.2493(15)0.6465(16)01
0.6958(15)0.2648(18)0.6919(16)01
0.7430(14)0.2594(17)0.5350(19)01
0.8207(13)0.4488(18)0.5196(18)01
0.7576(16)0.5441(17)0.6675(17)01
0.8954(3)0.8468(4)0.4266(3)01
1.0425(11)0.8054(14)0.3869(13)01
1.0206(13)0.6007(12)0.2771(13)01
0.9061(13)0.5629(14)0.2334(14)01
0.9255(11)0.6151(13)0.0620(13)01
1.0551(11)0.6873(13)0.0277(12)01
1.0554(11)0.8726(12)0.1264(13)01
1.1257(11)0.8948(13)0.2562(13)01
0.3896(4)0.9604(5)0.7327(5)01
0.2474(12)0.9484(14)0.8599(16)01
0.2859(17)1.0388(19)1.0548(18)01
0.4076(16)1.1133(20)1.0261(19)01
0.4069(16)1.3033(20)1.0243(18)01
0.2828(16)1.2992(16)1.0209(18)01
0.2765(15)1.2287(16)0.8355(18)01
0.1834(15)1.0776(19)0.8399(20)01
0.0083(5)0.2265(5)0.2596(5)01
0.0709(21)0.3377(28)0.1981(28)0.05(1)1
-.0594(27)0.1079(36)0.3240(36)0.08(1)1
-.0882(26)0.2694(34)0.2663(35)0.08(1)1
0.0150(22)0.3157(29)0.4041(30)0.06(1)1
-.0044(25)0.1302(33)0.1144(34)0.07(1)1
0.1090(39)0.1954(52)0.2554(52)0.14(2)1
0.3606(5)0.1235(6)0.4220(6)01
0.2678(31)0.0563(42)0.4987(42)0.10(1)1
0.4327(31)0.0444(41)0.4513(42)0.10(1)1
0.4527(31)0.1975(42)0.3552(42)0.10(1)1
0.361(4)0.0309(53)0.2839(54)0.14(2)1
0.2910(35)0.1870(46)0.3779(47)0.12(2)1
0.3877(62)0.2308(83)0.5497(84)0.24(4)1
0.6710(5)0.3571(6)0.0640(6)01
0.7390(45)0.4782(60)0.1302(60)0.16(2)1
0.2397(33)0.6189(44)0.0467(45)0.11(1)1
0.5830(36)0.3289(47)0.1722(48)0.12(2)1
0.7254(52)0.2954(69)0.1321(70)0.19(3)1
0.3973(79)0.645(11)0.017(11)0.29(5)1
0.3970(54)0.7781(76)-.0007(73)0.20(3)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
I1(2i)-1
S1(2i)0.286
S2(2i)0.286
S3(2i)0.286
S4(2i)0.286
S5(2i)0.286
S6(2i)0.286
S7(2i)0.286
I2(2i)-1
S8(2i)0.286
S9(2i)0.286
S10(2i)0.286
S11(2i)0.286
S12(2i)0.286
S13(2i)0.286
S14(2i)0.286
I3(2i)-1
S15(2i)0.286
S16(2i)0.286
S17(2i)0.286
S18(2i)0.286
S19(2i)0.286
S20(2i)0.286
S21(2i)0.286
As1(2i)5
F1(2i)-1
F2(2i)-1
F3(2i)-1
F4(2i)-1
F5(2i)-1
F6(2i)-1
As2(2i)5
F7(2i)-1
F8(2i)-1
F9(2i)-1
F10(2i)-1
F11(2i)-1
F12(2i)-1
As3(2i)5
F13(2i)-1
F14(2i)-1
F15(2i)-1
F16(2i)-1
F17(2i)-1
F18(2i)-1
0.123(4)0.076(3)0.038(3)0.055(3)-.029(3)0.002(2)
0.114(14)0.024(9)0.052(10)0.042(10)-.029(10)-.009(7)
0.086(13)0.070(13)0.045(10)0.039(11)0.009(9)0.007(9)
0.090(13)0.041(10)0.059(11)0.02(1)-.009(10)0.000(9)
0.134(15)0.085(14)0.053(11)0.078(14)-.010(11)0.023(10)
0.101(15)0.072(13)0.076(13)0.051(12)-.018(11)0.023(11)
0.076(13)0.075(13)0.076(13)0.022(11)0.001(10)0.042(11)
0.122(17)0.061(12)0.057(12)0.023(12)-.040(12)-.022(10)
0.078(3)0.051(3)0.029(2)0.039(2)-.010(2)-.007(2)
0.077(12)0.049(10)0.023(8)0.029(9)-.012(8)0.000(7)
0.125(15)0.018(8)0.029(9)0.044(9)-.025(9)-.005(7)
0.100(13)0.032(9)0.037(10)0.02(1)-.014(9)0.000(7)
0.088(12)0.029(8)0.035(9)0.034(9)-.019(8)-.002(7)
0.088(12)0.035(9)0.021(8)0.039(9)-.010(8)-.002(7)
0.084(12)0.026(8)0.028(9)0.022(8)-.018(8)0.003(7)
0.073(11)0.030(9)0.030(9)0.003(8)-.021(8)-.002(7)
0.114(4)0.065(3)0.059(3)0.047(3)0.011(3)0.005(2)
0.073(12)0.035(9)0.059(11)0.004(9)-.017(9)0.011(8)
0.138(20)0.078(14)0.055(13)0.003(14)-.024(13)0.037(11)
0.122(18)0.096(16)0.070(14)0.025(14)-.055(13)0.018(12)
0.116(17)0.083(16)0.057(13)-.007(13)-.039(12)0.000(11)
0.137(19)0.042(11)0.063(13)0.036(12)-.012(13)-.026(10)
0.120(17)0.056(12)0.081(14)0.040(12)-.032(12)0.022(10)
0.108(17)0.079(14)0.097(16)0.052(13)-.053(13)-.003(12)
0.083(5)0.027(3)0.020(3)0.022(3)-.0150.001(3)
000000
000000
000000
000000
000000
000000
0.075(5)0.047(4)0.042(4)0.032(4)-.012(3)0.012(3)
000000
000000
000000
000000
000000
000000
0.075(5)0.049(4)0.036(4)0.023(4)-.020(3)0.004(3)
000000
000000
000000
000000
000000
000000

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