Mark Spackman

Professor, BSc PhD W.Aust., FRACI

  • The University of Western Australia (M310), 35 Stirling Highway, Room 411, Bayliss Building, Perth campus

    6009 Perth


  • 12432 Citations
  • 46 h-Index
1978 …2019
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Personal profile


Mark Spackman received his BSc in chemical physics (1976) and PhD in theoretical chemistry (1980) from the University of Western Australia. After several years of postdoctoral studies he was appointed at the University of New England in 1987. Promoted to Professor in 1999, he has served terms as Convenor of Chemistry and Head of School at the University of New England. In 2003 he was awarded a five-year ARC Australian Professorial Fellowship (2004-2008), enabling him to focus full-time on his research for an extended period, and in 2004 he was appointed at the University of Western Australia.

Professor Spackman has been Secretary (1995-1997) and President (2001-2003) of the Society of Crystallographers in Australia & New Zealand, a member of the Australian Academy of Science National Committee for Crystallography (1994-2004, 2008-2011), and was a past member (1993-1998) and Chair (1999-2002) of the International Union of Crystallography Commission on Charge, Spin and Momentum Densities. He has also served as a member of the Australian Research Council Expert Advisory Committee on Physics, Chemistry and Geoscience (2002-2003) and as a Co-Editor of Acta Crystallographica Section B and CrystEngComm.

Roles and responsibilities

Funding overview

ARC Discovery Grant and Australian Professorial Fellowship 2004-2008
ARC Discovery Grant 2008-2010, with Dr George Koutsantonis and Prof Bo lversen (Aarhus University, Denmark)
ARC Linkage International Grant 2008-2009, with A/Prof Dylan Jayatilaka and Prof Hans-Beat Bürgi (University of Bern, Switzerland)
ARC Discovery Grant 2009-2011
ARC Discovery Grants 2013-2015

Teaching overview



  • Computational chemistry
  • Crystal structure analysis
  • Crystallography and theoretical chemistry
  • Theoretical chemistry

Fingerprint Dive into the research topics where Mark Spackman is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 4 Similar Profiles
Molecular crystals Chemical Compounds
Crystals Chemical Compounds
Molecules Chemical Compounds
crystals Physics & Astronomy
Atoms Chemical Compounds
Crystal structure Chemical Compounds
Surface analysis Chemical Compounds
Carrier concentration Chemical Compounds

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Research Output 1978 2019

Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals

Spackman, P. R., Yu, L. J., Morton, C. J., Parker, M. W., Bond, C. S., Spackman, M. A., Jayatilaka, D. & Thomas, S. P., 6 Aug 2019, In : Angewandte Chemie - International Edition.

Research output: Contribution to journalArticle

Crystal engineering
Drug Discovery
Crystal structure

Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism

Thomas, S. P., Grosjean, A., Flematti, G. R., Karton, A., Sobolev, A. N., Edwards, A. J., Piltz, R. O., Iversen, B. B., Koutsantonis, G. A. & Spackman, M. A., 22 Jul 2019, In : Angewandte Chemie - International Edition. 58, 30, p. 10255-10259 5 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis

Shi, M., Thomas, S., Hathwar, V. R., Edwards, A. J., Piltz, R. O., Jayatilaka, D., Koutsantonis, G., Overgaard, J., Nishibori, E., Iversen, B. & Spackman, M., 7 Mar 2019, In : Journal of the Amercian Chemical Society. 141, 9, p. 3965-3976 12 p., 10.1021/jacs.8b12927.

Research output: Contribution to journalArticle

Electric fields
3 Citations (Scopus)

Revisiting a historical concept by using quantum crystallography: Are phosphate, sulfate and perchlorate anions hypervalent?

Fugel, M., Malaspina, L. A., Pal, R., Thomas, S. P., Shi, M. W., Spackman, M. A., Sugimoto, K. & Grabowsky, S., 7 May 2019, In : Chemistry - A European Journal. 25, 26, p. 6523-6532 10 p.

Research output: Contribution to journalArticle

Negative ions
27 Citations (Scopus)
221 Downloads (Pure)

Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

Thomas, S. P., Spackman, P. R., Jayatilaka, D. & Spackman, M. A., 13 Mar 2018, In : Journal of Chemical Theory and Computation. 14, 3, p. 1614-1623 10 p.

Research output: Contribution to journalArticle

Open Access
Molecular crystals
lattice energy
Crystal lattices
Crystal structure

Projects 2004 2019


Gregori Aminoff Prize

Mark Spackman (Recipient), 2013


crystal structure

Lawrence Bragg Medal

Mark Spackman (Recipient), 2017

Prize: Other distinction

neutron diffraction
electron diffraction
x rays