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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.
ReferenceIC&volume=129&fpage=65&details=yes target=icsd_help>Journal of the Less-Common Metals (1987) 129, 65-76
Link XRef SCOPUS 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 : D P =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 refi

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
000.991.191
0.330.660.001.441
0.330.660.481.441
0.490.500.250.511
0.330.660.822.070.72
0.330.660.322.070.28
0.150.840.293.780.89
0.150.840.793.780.11
0.500.490.053.721

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