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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=40767 Help
TitleA new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data.
AuthorsLartigue, C.;LeBail, A.;Percheron-Guegan, A.
ReferenceJournal of the Less-Common Metals (1987) 129, 65-76
Link XRef SCOPUS SCIRUS Google
CompoundD7 La1 Ni5 - Lanthanum nickel deuteride (1/5/7) [NO5P7] [hP26] [c4 b4 a] []
Cell5.409(2), 5.409(2), 8.600(1), 90., 90., 120.
P63MC (186) V=217.9
RemarksR=0.081000 : DEF PDF =37-927 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Calculated density unusual but tolerable.
R(Bragg)=.0303, for anisotropic refinement cp. 40768, also refined in P31c with R=.0769

Atom (site) Oxid. x, y, z, B, Occupancy
La1(2a)0
Ni1(2b)0
Ni2(2b)0
Ni3(6c)0
D1(2b)0
D2(2b)0
D3(6c)0
D4(6c)0
D5(6c)0
000.9999(9)1.19(9)1
0.33330.66670.0011(11)1.44(7)1
0.33330.66670.4881(11)1.44(7)1
0.4999(7)0.5001(7)0.250.51(4)1
0.33330.66670.8203(9)2.07(18)0.72(2)
0.33330.66670.3203(9)2.07(18)0.28
0.1593(5)0.84070.2952(9)3.78(13)0.89(1)
0.1593(5)0.84070.7952(9)3.78(13)0.11
0.5069(16)0.49310.0577(4)3.72(15)1

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