Phase measurement for accurate mapping of chemical bonds in acentric space groups

  • Spackman M
  • Jiang B
  • Groy T
 et al. 
  • 16

    Readers

    Mendeley users who have this article in their library.
  • 5

    Citations

    Citations of this article.

Abstract

Although the electron density is fundamental to the study of chemical bonding and density-functional theory, it cannot be accurately mapped experimentally for the important class of crystals lacking inversion symmetry, since structure factor phase information is normally inaccessible. We report the combination of x-ray and electron diffraction experiments for the determination of the electron density in acentric AlN, using multiple-scattering effects in convergent-beam electron diffraction to obtain sensitivity to structure factor phases, and describe a new error metric and weighting scheme for multipole refinement using combined measurements of structure factor magnitudes and phases.

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document

Authors

  • M. A. Spackman

  • B. Jiang

  • T. L. Groy

  • H. He

  • A. E. Whitten

  • J. C.H. Spence

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free