Most cited papers in Crystal Structures and Properties
What are the most cited papers in Crystal Structures and Properties?
The most cited paper in Crystal Structures and Properties is "OLEX2 : a complete structure solution, refinement and analysis program" (Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al., 2009), with 32,557 citations. Next come "SHELXT – Integrated space-group and crystal-structure determination" (29,598) and "GSAS-II : the genesis of a modern open-source all purpose crystallography software package" (6,218).
Showing 50 of 100 papers. Every paper with more than 613 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | OLEX2 : a complete structure solution, refinement and analysis program Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al. · Journal of Applied Crystallography | 23 Jan 2009 | 32,557 |
| 2 | SHELXT – Integrated space-group and crystal-structure determination George M. Sheldrick · Acta Crystallographica Section A Foundations and Advances | 23 Dec 2014 | 29,598 |
| 3 | GSAS-II : the genesis of a modern open-source all purpose crystallography software package Brian H. Toby, ROBERT B. VON DREELE · Journal of Applied Crystallography | 13 Mar 2013 | 6,218 |
| 4 | First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures Atsushi Togo, Fumiyasu Oba, Isao Tanaka · Physical Review B | 14 Oct 2008 | 5,518 |
| 5 | Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals Dong Shi, Valerio Adinolfi, Riccardo Comin et al. · Science | 29 Jan 2015 | 5,147 |
| 6 | Crystallographic Computing System JANA2006: General features Václav Petříček, Michal Dušek, Lukáš Palatinus · Zeitschrift für Kristallographie - Crystalline Materials | 25 Apr 2014 | 4,802 |
| 7 | Two-dimensional detector software: From real detector to idealised image or two-theta scan A. P. Hammersley, Sigfrid Svensson, Michael Hanfland et al. · High Pressure Research | 1996 | 4,696 |
| 8 | Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure Alexei L. Ankudinov, Bruce Ravel, John J. Rehr et al. · Physical review. B, Condensed matter | 15 Sep 1998 | 4,357 |
| 9 | Fast Lithium Ion Conduction in Garnet‐Type Li 7 La 3 Zr 2 O 12 Ramaswamy Murugan, Venkataraman Thangadurai, W. Weppner · Angewandte Chemie International Edition | 5 Sep 2007 | 3,245 |
| 10 | Mixed Valence Chemistry-A Survey and Classification Melvin B. Robin, Peter A. Day · Advances in inorganic chemistry and radiochemistry | 1968 | 2,723 |
| 11 | Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction Armel Le Bail, H. Duroy, J.L. Fourquet · Materials Research Bulletin | Mar 1988 | 2,678 |
| 12 | Elasticity and constitution of the Earth's interior Francis S. Birch · Journal of Geophysical Research Atmospheres | Jun 1952 | 2,541 |
| 13 | Crystal Engineering of NLO Materials Based on Metal−Organic Coordination Networks Owen R. Evans, Wenbin Lin · Accounts of Chemical Research | 20 Apr 2002 | 2,475 |
| 14 | Rietveld refinement guidelines Lynne B. McCusker, ROBERT B. VON DREELE, David E. Cox et al. · Journal of Applied Crystallography | Feb 1999 | 2,360 |
| 15 | Raman spectrum of anatase, TiO 2 Toshiaki Ohsaka, Fujio Izumi, Yoshinori Fujiki · Journal of Raman Spectroscopy | Dec 1978 | 2,308 |
| 16 | New thermodynamic models and revised calibrations for the Ti-in-zircon and Zr-in-rutile thermometers John M. Ferry, E. Bruce Watson · Contributions to Mineralogy and Petrology | 7 May 2007 | 2,290 |
| 17 | Quadratic Elongation: A Quantitative Measure of Distortion in Coordination Polyhedra Keith W. Robinson, G. V. Gibbs, Paul H. Ribbe · Science | 7 May 1971 | 2,155 |
| 18 | New nonlinear-optical crystal: LiB_3O_5 Chuangtian Chen, Yicheng Wu, Aidong Jiang et al. · Journal of the Optical Society of America B | Apr 1989 | 2,065 |
| 19 | Chromian spinel as a petrogenetic indicator in abyssal and alpine-type peridotites and spatially associated lavas H. J. Dick, Thomas D. Bullen · Contributions to Mineralogy and Petrology | 1984 | 2,050 |
| 20 | PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Christopher L. Farrow, Pavol Juhás, Jie Liu et al. · Journal of Physics Condensed Matter | 4 Jul 2007 | 1,888 |
| 21 | Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids Stefan Maintz, Volker L. Deringer, Andrei L. Tchougréeff et al. · Journal of Computational Chemistry | 10 Sep 2013 | 1,803 |
| 22 | Review: the structure of simple phosphate glasses Richard K. Brow · Journal of Non-Crystalline Solids | Mar 2000 | 1,602 |
| 23 | A Semi-empirical tight-binding theory of the electronic structure of semiconductors† P. Vogl, Harold P. Hjalmarson, John D. Dow · Journal of Physics and Chemistry of Solids | 1983 | 1,449 |
| 24 | New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design Alec Belsky, Mariette Hellenbrandt, Vicky Lynn Karen et al. · Acta Crystallographica Section B Structural Science | 29 May 2002 | 1,413 |
| 25 | Electronic Polarizabilities of Ions in Crystals Jack R. Tessman, Arnold H. Kahn, W. Shockley · Physical Review | 15 Nov 1953 | 1,402 |
| 26 | Chemistry of intercalation compounds: Metal guests in chalcogenide hosts M. Stanley Whittingham · Progress in Solid State Chemistry | 1978 | 1,362 |
| 27 | Nomenclature of the amphibole supergroup Frank Christopher Hawthorne, Roberta Oberti, George E. Harlow et al. · American Mineralogist | 29 Oct 2012 | 1,360 |
| 28 | Post-Perovskite Phase Transition in MgSiO 3 Motohiko Murakami, Kei Hirose, Katsuyuki Kawamura et al. · Science | 13 Apr 2004 | 1,335 |
| 29 | PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions Pavol Juhás, Timur D. Davis, Christopher L. Farrow et al. · Journal of Applied Crystallography | 13 Mar 2013 | 1,327 |
| 30 | Phenomenological model of anisotropic peak broadening in powder diffraction Peter W. Stephens · Journal of Applied Crystallography | Apr 1999 | 1,295 |
| 31 | Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting Anna Amat, Edoardo Mosconi, Enrico Ronca et al. · Nano Letters | 5 May 2014 | 1,284 |
| 32 | Population analysis of plane-wave electronic structure calculations of bulk materials Matthew Segall, Rajiv Shah, Chris J. Pickard et al. · Physical review. B, Condensed matter | 15 Dec 1996 | 1,283 |
| 33 | Noncentrosymmetric Oxides P. Shiv Halasyamani, Kenneth Reinhard Poeppelmeier · Chemistry of Materials | 12 Sep 1998 | 1,269 |
| 34 | Shock metamorphism of ordinary chondrites D. Stöffler, Klaus Keil, Scott Edward · Geochimica et Cosmochimica Acta | Dec 1991 | 1,253 |
| 35 | Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F Guoqiang Q. Shi, Ying Wang, Fangfang Zhang et al. · Journal of the American Chemical Society | 20 Jul 2017 | 1,236 |
| 36 | Structure of Spinel Kurt E. Sickafus, J. M. Wills, Norman W. Grimes · Journal of the American Ceramic Society | Dec 1999 | 1,228 |
| 37 | Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap George Volonakis, Amir A. Haghighirad, Rebecca L. Milot et al. · The Journal of Physical Chemistry Letters | 30 Jan 2017 | 1,171 |
| 38 | Generalized norm-conserving pseudopotentials Donald R. Hamann · Physical review. B, Condensed matter | 15 Aug 1989 | 1,167 |
| 39 | Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups Mois Ilia Aroyo, Asen Kirov, Cesar Capillas et al. · Acta Crystallographica Section A Foundations of Crystallography | 20 Feb 2006 | 1,148 |
| 40 | Formability of ABX 3 ( X = F, Cl, Br, I) halide perovskites Chonghea Li, Xionggang Lu, Weizhong Ding et al. · Acta Crystallographica Section B Structural Science | 13 Nov 2008 | 1,143 |
| 41 | Octahedral Tilting in Perovskites. I. Geometrical Considerations Patrick M. Woodward · Acta Crystallographica Section B Structural Science | Feb 1997 | 1,121 |
| 42 | Borates: A Rich Source for Optical Materials Miriding Mutailipu, Kenneth Reinhard Poeppelmeier, Shilie Pan · Chemical Reviews | 14 Dec 2020 | 1,092 |
| 43 | Li6PS5X: A Class of Crystalline Li‐Rich Solids With an Unusually High Li+ Mobility Hans‐Jörg Deiseroth, Shiao‐Tong Kong, Hellmut Eckert et al. · Angewandte Chemie International Edition | 27 Dec 2007 | 1,033 |
| 44 | PDFgetX2 : a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data Xiangyun Qiu, Jeroen W. Thompson, Simon J. L. Billinge · Journal of Applied Crystallography | 17 Jul 2004 | 1,022 |
| 45 | EXPO2013 : a kit of tools for phasing crystal structures from powder data Angela Altomare, Corrado Cuocci, Carmelo Giacovazzo et al. · Journal of Applied Crystallography | 3 Jul 2013 | 1,004 |
| 46 | Design and synthesis of an ultraviolet-transparent nonlinear optical crystal Sr2Be2B2O7 Chuangtian Chen, Yebin Wang, Baichang Wu et al. · Nature | 26 Jan 1995 | 1,004 |
| 47 | Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials Jonathan R. Yates, Chris J. Pickard, Francesco Mauri · Physical Review B | 2 Jul 2007 | 1,002 |
| 48 | Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer Artem R. Oganov, Shigeaki Ono · Nature | Jul 2004 | 1,000 |
| 49 | Nonlinear Optical Materials David F. Eaton · Science | 19 Jul 1991 | 989 |
| 50 | The Scherrer equation and the dynamical theory of X-ray diffraction Francisco Tiago Leitão Muniz, Marcus Aurelio Ribeiro Miranda, Cássio Morilla dos Santos et al. · Acta Crystallographica Section A Foundations and Advances | 21 Apr 2016 | 986 |
Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for a field when OpenAlex files it under one of the field's topics; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.