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A fast and fully automatic procedure for collecting electron diffraction tomography data is presented. In the case of a very stable goniometer it is demonstrated how, by variation of the tilting speed and the CCD detector parameters, it is possible to obtain fully automatic precession-assisted electron diffraction tomography data collections, rotation electron diffraction tomography data collections or new integrated electron diffraction tomography data collections, in which the missing wedge of the reciprocal space between the patterns is recorded by longer exposures during the crystal tilt. It is shown how automatic data collection of limited tilt range can be used to determine the unit-cell parameters, while data of larger tilt range are suitable to solve the crystal structure ab initio with direct methods. The crystal structure of monoclinic MgMoO4 has been solved in this way as a test structure. In the case where the goniometer is not stable enough to guarantee a steady position of the crystal over large tilt ranges, an automatic method for tracking the crystal during continuous rotation of the sample is proposed.

Supporting information


Crystallographic Information File (CIF)
Contains datablocks global, I


Structure factor file (CIF format)
Contains datablock I

CCDC reference: 1052528

Computing details top

Program(s) used to solve structure: SIR2011 (Burla et al., 2011).

Magnesium Molybdate top
Crystal data top
MgMoO4β = 105.900°
Mr = 184.24V = 634.6 Å3
Monoclinic, C2/mZ = 8
a = 10.157 ÅCell parameters from 1608 reflections
b = 9.246 Åθ = 0.0–0.0°
c = 7.030 ÅT = 293 K
Data collection top
711 independent reflectionsk =
711 reflections with F > 3.0 σ(F)l =
h =
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top

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