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[交流] 【求助】谁有YCa4O(BO3)3.cif 文件

哪位虫友有YCa4O(BO3)3.cif 文件啊？

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*data for ICSD #94066
Coll Code 94066
Rec  Date 2003/04/01
Chem Name Yttrium Calcium Oxide Borate (0.92/4.08/0.96/3)
Structured  (Y0.792 Ca0.208) (Ca0.938 Y0.062)2 Ca2 O0.96 (B O3)3
Sum       B3 Ca4.084 O9.96 Y0.916
ANX       AB3C4X10
D(calc)    3.25
Title    Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb
         crystals
Author(s) Kuz'micheva, G.M.;Ageev, A.Yu.;Rybakov, V.B.;Panyutin, V.L.;Yu,
         Y.M.;Chizhikov, V.I.
Reference Neorganicheskie Materialy
         (2001), 37(10), 1235-1245
         Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
         (2001), 37(10), 1051-1060
Unit Cell 8.069(2) 16.005(2) 3.5275(6) 90 101.17(1) 90
Vol       446.93
Z          2
Space Group C 1 m 1
SG Number 8
Cryst Sys monoclinic
Pearson    mS36
Wyckoff    b7 a4
R Value    .041
Red Cell C  3.527 8.069 8.961 63.244 84.996 78.829 223.463
Trans Red 0.000 0.000 1.000 / -1.000 0.000 0.000 / -0.500 -0.500 0.000
Comments Total SOF on at least one site differs from unity (SOF <
         0.997 resp. SOF > 1.003)
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-070-8121
         Structure type : Ca5(BO3)3F
         X-ray diffraction from single crystal
Atom  # OX SITE    x          y          z          SOF    H       ITF(U)
Y 1  +3 2 a 0.       0.       0.          0.792(6) 0       0.007(1)
Ca 1  +2 2 a 0.       0.       0.          0.208(6) 0       0.007(1)
Y 2  +3 4 b 0.8603(1) 0.61237(5)  0.6756(3)    0.062(4) 0       0.007(1)
Ca 2  +2 4 b 0.8603(1) 0.61237(5)  0.6756(3)    0.938(4) 0       0.007(1)
Ca 3  +2 4 b 0.7436(1) 0.81894(6)  0.3528(3)    1.       0       0.011(1)
B 1  +3 2 a 0.6276(9) 0.       0.299(2)    1.       0       0.008(1)
B 2  +3 4 b 0.0556(6) 0.8051(3) 0.925(1)    1.       0       0.008(1)
O 1  -2 2 a 0.1742(6) 0.       0.584(2)    0.96(2) 0       0.010(1)
O 2  -2 4 b 0.5413(5) 0.0742(2) 0.2543(9)    1.       0       0.012(1)
O 3  -2 2 a 0.8023(6) 0.       0.399(2)    1.       0       0.016(1)
O 4  -2 4 b 0.9212(5) 0.8583(2) 0.930(1)    1.       0       0.011(1)
O 5  -2 4 b 0.0338(5) 0.7306(2) 0.732(1)    1.       0       0.013(1)
O 6  -2 4 b 0.2147(4) 0.8257(2) 0.121(1)    1.       0       0.013(1)
*end for ICSD #94066