ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Test cases in space groups P1, P{\bar 1}, P21/c, Pmn21, P6122, and 1{\bar 4}3d are presented for the types of calculation most commonly used in the analysis of crystal structures. For each test, the results include the reciprocal unit-cell parameters; sin θ/λ; interpolated scattering factors; calculated structure factors; interatomic distances and angles; a Fourier block; and the least-squares matrices, shifts, and estimated standard deviations. These results have been verified with different programs on different computers.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0567739472001056
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