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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=96993 Help
TitlePressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+)).
AuthorsBarnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Vogt, T.; Hriljac, J.A.
ReferenceJournal of the American Chemical Society (2003) 125, 4572-4579
Link XRef SCOPUS SCIRUS Google
CompoundH6 N1 Nb1 O7 W1 - Ammonium niobotungstate hydrate [A2XY7] [cF128] [f e2 c] []
Cell10.490(1), 10.490(1), 10.490(1), 90, 90, 90
FD3-MZ (227) V=1154.32
RemarksR=0.045300 : DEF PRE =3370 : RVP SNP
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.
At least one temperature factor missing in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Nb1(16c)5
W1(16c)6
N1(32e)-3
O1(48f)-2
O2(32e)-2
H1(192*)1
0.0.0.00.5
0.0.0.00.5
0.484(2)0.484(2)0.484(2)00.25
0.31830.1250.12501
0.432(2)0.432(2)0.432(2)00.25
00.25

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