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凌云94鐵桿木蟲(chóng) (正式寫(xiě)手)
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[求助]
求助PDF為21-1272的銳鈦礦TiO2的cif文件 已有1人參與
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| 求助PDF為21-1272的銳鈦礦TiO2的cif文件 |
鐵桿木蟲(chóng) (職業(yè)作家)
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*data for ICSD #172916 Coll Code 172916 Rec Date 2008/02/01 Chem Name Titanium Oxide Structured Ti O2 Sum O2 Ti1 ANX AX2 Min Name Anatase D(calc) 3.89 Title Structural characterization of the hollandite host lattice for the confinement of radioactive cesium: Quantification of the amorphous phase taking into account the incommensurate modulated character of the crystallized part Author(s) Leinekugel-le-Cocq-Errien, A.Y.;Deniard, P.;Jobic, S.;Gautier, E.;Evain, M.;Aubin, V.;Bart, F. Reference Journal of Solid State Chemistry (2007), 180(1), 322-330 Unit Cell 3.78500(7) 3.78500(7) 9.5133(2) 90. 90. 90. Vol 136.28 Z 4 Space Group I 41/a m d Z SG Number 141 Cryst Sys tetragonal Pearson tI12 Wyckoff e b R Value 0.0869 Red Cell I 3.785 3.785 5.457 110.288 110.288 89.999 68.145 Trans Red 1.000 0.000 0.000 / 0.000 -1.000 0.000 / -0.500 0.500 -0.500 Comments Hollandite/anatase mixture with 47.2 % hollandite, for hollandite phase see coll-code=172915 Hollandite synthesized by dry route Compound with mineral name: Anatase Rietveld profile refinement applied Temperature in Kelvin: 293 Temperature factors available Structure type : TiO2(tI12) X-ray diffraction (powder) Atom # OX SITE x y z SOF H ITF(U) Ti 1 +4 4 b 0 0.25 0.375 1. 0 .007 O 1 -2 8 e 0 0.25 0.1663(3) 1. 0 .013 Std. Notes Transformation Method: Tidy Std. Cell 3.7850 3.7850 9.5133 90 90 90 Std. Vol. 136.29 Std. Z 4 Std. SG I41/AMDZ Std. Atom Atom # OX SITE x y z SOF Ti 1 +4 4 b 0 .25 .375 1. O 1 -2 8 e 0 .25 .16630 1. *end for ICSD #172916 |
新蟲(chóng) (初入文壇)
鐵桿木蟲(chóng) (職業(yè)作家)
鐵桿木蟲(chóng) (正式寫(xiě)手)
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