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[求助] 求一个BaSr2(PO4)2：Eu3+荧光材料的cif文件已有1人参与

求一个BaSr2(PO4)2：Eu3+荧光材料的cif文件

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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