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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=40299 Help
TitleFeatures of defect structure of Ce F3-saturated fluorite solid solution Ba.5 Ce.5 F2.5 according to results of a neutron-diffraction investigation of the single crystals.
AuthorsAleksandrov, V.B.;Otroshchenko, L.P.;Fykin, L.E.;Bydanov, N.N.;Sobolev, B.P.
ReferenceKristallografiya (1989) 34, 1497-1501
Link XRef SCOPUS SCIRUS Google
CompoundBa0.73 F2.27 Pr0.27 - Barium praseodymium fluoride (0.73/0.27/2.27) [A4X9] [cF13] [i c a] []
Cell6.118(3), 6.118(3), 6.118(3), 90., 90., 90.
FM3-M (225) V=229.
RemarksR=0.015000 : DEF NDS TEM =573 : AHT
R(without anharmonic parameters)=0.02, cp. 62312

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(4a)2
Pr1(4a)3
F1(8c)-1
F2(48i)-1
0001.540(16)0.73
0001.540(16)0.27
0.250.250.252.099(11)0.795
0.50.134(1)0.134(1)00.0575
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ba1(4a)2
Pr1(4a)3
F1(8c)-1
F2(48i)-1
000000
000000
000000
0.027(2)0.027(1)0.027(1)000.018(1)

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