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可丶丶玖新蟲(chóng) (小有名氣)
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[求助]
求一個(gè)BaSr2(PO4)2:Eu3+熒光材料的cif文件 已有1人參與
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求一個(gè)BaSr2(PO4)2:Eu3+熒光材料的cif文件 @lich666 @jackdeng 發(fā)自小木蟲(chóng)Android客戶端 |
鐵桿木蟲(chóng) (職業(yè)作家)
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*data for ICSD #150868 Coll Code 150868 Rec Date 2006/04/01 Chem Name Barium Distrontium Bis(phosphate(V)) Structured Ba Sr2 (P O4)2 Sum Ba1 O8 P2 Sr2 ANX A2B3X8 D(calc) 4.78 Title Rietveld refinements of a new solid solution Ba3-x Srx (P O4)2 (0 <= x <= 3) Author(s) Manoun, B.;Popovic, L.;de Waal, D.;Verryn, S.M.C. Reference Powder Diffraction (2003), 18, 122-127 Unit Cell 5.4655(2) 5.4655(2) 20.227(3) 90. 90. 120. Vol 523.27 Z 3 Space Group R -3 m H SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR13 Wyckoff h c3 a R Value 0.094 Red Cell RH 5.465 5.465 7.444 68.463 68.463 60 174.422 Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-2807 Rietveld profile refinement applied Temperature factors available Structure type : K2Pb(SO4)2 X-ray diffraction (powder) At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. Atom # OX SITE x y z SOF H ITF(B) Ba 1 +2 3 a 0 0 0 0.24(4) 0 0.46(14) Sr 1 +2 3 a 0 0 0 0.76(4) 0 0.46(14) Ba 2 +2 6 c 0 0 0.7928(4) 0.38(2) 0 0.21(11) Sr 2 +2 6 c 0 0 0.7928(4) 0.62(2) 0 0.21(11) P 1 +5 6 c 0 0 0.5934(9) 1. 0 0.07(14) O 1 -2 6 c 0 0 0.6697(9) 1. 0 0.02(16) O 2 -2 18 h 0.4855(9) 0.5145(9) 0.2343(9) 1. 0 0.02(16) Std. Notes Transformation Method: Tidy Std. Cell 5.4655 5.4655 20.2270 90 90 120 Std. Vol. 523.27 Std. Z 3 Std. SG R3-MH Std. Atom Atom # OX SITE x y z SOF Ba 1 +2 3 a 0 0 0 0.24 Sr 1 +2 3 a 0 0 0 0.76 Ba 2 +2 6 c 0 0 .20720 0.38 Sr 2 +2 6 c 0 0 .20720 0.62 P 1 +5 6 c 0 0 .40660 1. O 1 -2 6 c 0 0 .33030 1. O 2 -2 18 h .48550 .51450 .23430 1. *end for ICSD #150868 |
鐵桿木蟲(chóng) (職業(yè)作家)
鐵蟲(chóng) (正式寫(xiě)手)
QQ77486526
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