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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.
ReferenceIC&volume=125&fpage=457&details=yes target=icsd_help>Journal of the American Chemical Society (2003) 125, 457-457
Link XRef SCOPUS 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 : D P =3370 : S
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
0.480.480.4800.25
0.310.120.1201
0.430.430.4300.25
00.25

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