notes for authors

1. Scientific scope

Acta Crystallographica Section B publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on parameters such as temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica Section B is the forum for the publication of such contributions. The journal also welcomes contributions focusing on all aspects of crystal growth related to structural science, crystal engineering and materials. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure–property relations and the use of databases of crystal structures, are published.

Developments related to X-ray, electron and neutron diffraction studies of periodic and aperiodic crystals, fully and partially ordered solids as well as amorphous solids, clusters and single molecules are reported. Studies based on complementary techniques, such as electron microscopy and other imaging or spectroscopic techniques, are also welcome. The journal covers inorganic, organic, organometallic and metal–organic compounds, minerals, metals, alloys, extended framework structures, and hybrid and biomimetic materials. A full list of topics can be found on the journal home page at https://journals.iucr.org/b/journalhomepage.html.

2. Categories of contributions

Contributions should conform to the general editorial style of the journal. Typical articles can be viewed by going to https://journals.iucr.org/b/issues/sample/. Articles should be written with a wide scientific audience in mind.

2.1. Research Papers

Full-length Research Papers should not normally exceed 15 journal pages (about 15 000 words).

2.2. Lead Articles

Lead Articles are authoritative, comprehensive and forward-looking reviews of major areas of research interest. Suggestions for suitable topics and of potential author(s) are welcomed by the Section Editors for discussion with the Board.

The Section Editors will discuss the treatment of the topic, and the length and the delivery date of the article with potential author(s).

2.3. Feature Articles

Feature Articles are focused surveys covering recent advances in an area of current research. They should not aim to be comprehensive, but a brief introduction should provide historical perspective and a brief conclusion should indicate likely future directions. Inclusion of relevant new results is appropriate.

Feature Articles will generally be about ten journal pages (10 000 words). Shorter articles on rapidly evolving areas are also actively encouraged.

2.4. Topical Reviews

Topical Reviews aim to capture the current trend of a field and are expected to be relatively short. Typically they should contain about 6000 words and a maximum of 50 references, with half of those having been published in the last three years. Inclusion of new results as well as historical perspective is appropriate.

2.5. Research Perspectives

Research Perspectives are articles invited by the Section Editors after discussion with the Board. The main or sole author will be an established leader in a particular field and such articles are expected to review the development of that field, with a strong focus on the author's own contributions to it.

The length of a Research Perspective should not normally exceed 15 journal pages (about 15 000 words), but the Section Editors will discuss the length, the treatment of the topic and the delivery date of the manuscript with the invited author. The journal will normally publish one article in this category per year.

2.6. Letters to the Editor

These may deal with non-technical aspects of crystallography, its role, its propagation, the proper function of its Societies etc., or may make a technical observation or scientific comment that would usefully be brought to a wider audience. They can also be used as a means of post-publication discussion. Letters should be submitted to one of the Section Editors

2.7. Scientific Comment

Comments of general scientific interest to the readership are welcomed. These should not normally exceed two journal pages and should be submitted as in Section 6[link].

2.8. Opinions

Opinion articles which discuss a particular topic from the authors' viewpoint are also welcome: their general scope should be discussed with the Section Editors before submission.

2.9. Scientific Commentaries

Scientific Commentaries discuss articles of particular importance for the readership of the journal. Suggestions for suitable topics and of potential author(s) are welcomed by the Main Editors.

2.10. Special issues

Acta Crystallographica Section B also publishes focused special issues on topics which highlight the scope of the journal. For more information contact the Section Editors.

3. Studies of crystal growth

Acta Crystallographica Section B is a natural home for publications describing studies of crystal growth of small molecules or extended organic, inorganic or hybrid compounds. In general, such studies should correspond to the scope of the journal, namely structural science, crystal engineering and materials. Studies of biological crystallization should be submitted to Acta Crystallographica Section D or F. Theoretical studies may be more suitable for Acta Crystallographica Section A or Journal of Applied Crystallography, although there are likely to be borderline cases. Potential authors are encouraged to consult the relevant editorial and contact a Section Editor to discuss the selection of the most appropriate journal for their submission.

3.1. Article requirements

Articles describing crystal growth should clearly and fully describe the experimental procedure by which the sample was prepared, determine whether the sample was homogeneous and establish that the procedure is reproducible. Identification and characterization of grown crystals or samples should be supported by direct structural analysis based on diffraction or atomic scale imaging. Authors should ensure that their article emphasizes the structural and crystallographic aspects of their work.

3.2. Examples of possible research topics

The following list contains topics in crystal growth which could feature in articles submitted to Acta Crystallographica Section B: (a) crystallization under non-ambient conditions; (b) crystal growth resulting from solid-state transformations; (c) growth of non-biological crystals in biological tissues; (d) crystal growth in relation to earth and planetary sciences; (e) biomineralization; (f) control of polymorphism; (g) control of crystal shape; (h) control of crystal size and the effects thereof; (i) crystal growth in nanoconfinement; (j) crystal growth in materials science; (k) characterization of defects and their significance for structural and physical properties; (l) crystal growth and polytypism; (m) directional crystal growth. This list is not intended to be comprehensive.

4. Crystal structure determinations

Articles that report the results of crystal structure determinations of small molecules or materials should supply data as a single electronic file in CIF format. Structure factor data in CIF format are also required. Authors are asked to check their CIF with checkCIF before submission by using the checkCIF service at https://journals.iucr.org/services/cif/checking/checkbasic.html.

All numerical data in the CIF will be automatically checked using checkCIF, and duplication checks will be carried out against the relevant database. A review document, including these reports and a preprint of the Experimental details table, will be forwarded to the Co-editor, together with the CIF.

Each published article will normally include a standard Experimental details table. Authors should use the table tools within the Word template (available from https://journals.iucr.org/services/wordstyle.html), the table converter at https://publcif.iucr.org/services/tools or the program publCIF (available from https://publcif.iucr.org) to generate this table from the CIF. The tools can be used to prepare the tables from CIFs for most kinds of studies (including determinations of modulated and composite structures from single-crystal and powder data). The table and all other tabular data except the coordinates should be submitted as part of the manuscript. If the number of structures reported is very large, if a single structure is reported as a function of temperature or composition, or if structures already in the literature have been redetermined, the author may request or the editor may require that an abbreviated table be prepared using the tools above. Atomic coordinates will be published in CIF format only (see Section 7.2[link]). Coordinates will only be included as a numbered table in very exceptional cases.

For articles reporting molecular structures a labelled displacement ellipsoid molecular diagram is normally required for publication; for non-molecular structures, a packing or polyhedron diagram may be more appropriate. If the number of structures reported is large it may be preferable to put some or all of the diagrams in the supporting information. Atomic displacement parameters for all structures reported will be available in the CIF during review and after publication. Any unusual features of these parameters should be either illustrated in a figure or mentioned in the article text.

Authors submitting incommensurate modulated structures should see the checklist given by Chapuis et al. [Acta Cryst. (1997), A53, 95–100].

5. Article preparation

5.1. General information

Articles should be clearly and simply written so that they are accessible to as broad a readership as possible. Before preparing articles, authors should consult a recent issue of the journal to make themselves familiar with the general format, such as the use of headings, layout of tables and citation of references. A sample issue is available at https://journals.iucr.org/b/issues/sample/.

The title of the article should be written to appeal to a wide audience and should include key phrases in the subject area. The most effective titles are generally no more than 10–12 words in length. The use of acronyms or abbreviations should be avoided. In general, concise titles are preferred over longer ones.

All contributions should be accompanied by an English language Abstract and a one or two sentence Synopsis of the main findings of the article for inclusion in the contents pages. Authors should also supply at least five carefully selected keywords. These may include synonyms and specific phrases related to the subject of the article.

The Abstract should state as specifically and as quantitatively as possible the principal results obtained, and should provide an indication of the broader significance of the work. For Research Papers, Lead Articles or Feature Articles the Abstract should be around 250 words. For shorter contributions 150 words should suffice. The Abstract should be suitable for reproduction by abstracting services without a change in wording. It should make no reference to tables, diagrams, atom numbers or formulae contained in the article. It should not contain footnotes and should not include the words `we' or `I'.

5.2. Quality of writing

It is important that articles are well written and grammatically correct. If the Co-editor concludes that language problems would place an undue burden on the referees, the article may be returned to the authors without review. Details of language-editing services can be found at https://journals.iucr.org/services/languageservices.html.

5.3. Diagrams and photographs (`figures')

A set of guidelines for preparing figures is available from https://journals.iucr.org/b/services/help/artwork/guide.html. Figures should be prepared using one of the file formats listed in Section 6.2[link].

The choice of figures should be optimized to produce the shortest article consistent with clarity. Duplicate presentation of the same information in both figures and tables is to be avoided, as is redundancy with the text. Supplementary figures may be deposited (see Section 7[link]).

An image should be provided which summarizes the message of the paper, and can be used as a graphical abstract or thumbnail on the contents pages and the first page of the article.

In articles which use powder-profile fitting or refinement (Rietveld) methods, figures that present the experimental and calculated diffraction profiles of the material studied should also contain the difference profile. As primary diffraction data cannot be satisfactorily extracted from such figures, the basic digital diffraction data should be deposited (see Section 7.3[link]).

5.3.1. Quality

Electronic files in the formats listed in Section 6.2[link] are essential for high-quality reproduction. The resolution of bitmap graphics should be a minimum of 600 d.p.i.

5.3.2. Size

Diagrams should be as small as possible consistent with legibility. They will normally be sized so that the greatest width including lettering is less than the width of a column in the journal (8.8 cm).

5.3.3. Lettering and symbols

Fine-scale details and lettering should be large enough to be clearly legible (ideally 1.5–3 mm in height) after the whole diagram has been reduced to one column width.

Lettering should be kept to a minimum; grids and shadings should be avoided where they are not required to improve clarity. Descriptive matter should be placed in the caption.

A scale bar should be included on images that contain crystals.

5.3.4. Numbering and captions

Diagrams should be numbered in a single series in the order in which they are referred to in the text. A list of figure captions should be included in the manuscript.

5.3.5. Colour figures

Colour figures are accepted at no cost to the author.

Authors preparing colour figures should consider how the figure would look in greyscale and to readers who are colour-blind. It is important that poor contrast (e.g. pale colours with a white background) be avoided.

5.3.6. Chemical line diagrams and schemes

In articles reporting organic or metal-organic structures, a chemical line diagram should normally be included for each compound. The diagram should be complete, showing all species present in the structure, including counter-ions and solvent molecules in their correct proportions. Structures should be numbered (I), (II), (III) etc.

Chemical line diagrams and reaction schemes should not have a caption.

Authors are encouraged to submit chemical connectivity (MOL, CML, CHM, SMI) files of reported structures with their articles. These can often be generated by the software used to generate the scheme. These files will be made available as part of the supporting information for each article and will be used to provide InChI (International Chemical Identifier) keys for the article, making the structures easier to find in the chemical literature.

5.3.7. Cover figure

Authors are encouraged to supply suggestions for the cover illustration of the journal.

5.4. Tables

For single-crystal, powder, and modulated and composite structures, a standard experimental table (see Section 4[link]) should be included. This table should be prepared using the table tools within the Word template (available from https://journals.iucr.org/services/wordstyle.html) or the table tool at https://publcif.iucr.org/services/tools. These tools can also be used to create geometry tables.

Authors submitting in Word should use the Word table editor to prepare any additional tables.

5.4.1. Use of tables

Extensive numerical information is generally most economically presented in tables. Text and diagrams should not be redundant with the tables.

Atomic coordinates and displacement parameters should be included in the CIF and are not normally repeated in the article. Derived values of only routine interest should be included in the CIF only. Structure factors should be deposited electronically; note that if structure factors are embedded in the CIF, separate structure factor files are not required.

5.4.2. Design, numbering and size

Tables should be numbered in a single series of arabic numerals in the order in which they are referred to in the text. They should be provided with a caption.

Tables should be carefully designed to occupy a minimum of space consistent with clarity.

5.5. Video and multimedia content

Multimedia content (e.g. time-lapse sequences, three-dimensional structures) is welcomed. The preferred file formats for multimedia are given at https://journals.iucr.org/services/filetypes.html.

5.6. Mathematics and letter symbols

Authors submitting in Word should use the Word equation editor to prepare displayed mathematical equations.

The use of the stop (period) to denote multiplication should be avoided except in scalar products. Generally no sign is required but, when one is, a multiplication sign (×) should be used.

Scalar variables and non-standard functions should appear in italic type.

Vectors should be in bold type and tensors should be in bold-italic type.

Greek letters should not be spelled out.

Care should be taken not to cause confusion by using the same letter symbol in two different meanings.

Gothic, script or other unusual lettering should be avoided. Another typeface may be substituted if that used by the author is not readily available.

All displayed equations, including those in published Appendices, should be numbered in a single series.

5.7. Nomenclature

5.7.1. Units

The International System of Units (SI) is used except that the ångström (symbol Å, defined as 10−10 m) is generally preferred to the nanometre (nm) or picometre (pm) as the appropriate unit of length. Recommended prefixes of decimal multiples should be used rather than `× 10n'.

5.7.2. Nomenclature of chemical compounds etc.

Names of chemical compounds and minerals are not always unambiguous. Authors should therefore quote the chemical formulae, including chemical structural diagrams for organic and metal-organic compounds, of the substances dealt with in their articles.

Chemical formulae and nomenclature should conform to the rules of nomenclature established by the International Union of Pure and Applied Chemistry (IUPAC), the International Union of Biochemistry and Molecular Biology (IUBMB), the International Mineralogical Association (IMA) and other appropriate bodies. As far as possible the crystallographic nomenclature should correspond to the systematic name.

Any accepted trivial or non-systematic name may be retained, but the corresponding systematic (IUPAC) name should also be given.

For crystal structures containing chiral molecules, authors should make it clear whether the crystal structure is a racemate or enantiopure, and if enantiopure whether or not the assignment of the absolute configuration is supported by experimental evidence. The absolute configuration should be indicated using the CIF data item _chemical_absolute_configuration. The title, compound name, chemical diagrams, atomic coordinates and space group should correspond to the enantio-composition and the selected configuration.

It is also most helpful to indicate the crystallographic and non-crystallographic symmetry of each molecule in the asymmetric unit.

5.7.3. Crystallographic nomenclature

Authors should follow the general recommendations produced by the IUCr Commission on Crystallographic Nomenclature (see reports at https://www.iucr.org/resources/commissions/crystallographic-nomenclature).

Atoms of the same chemical species within an asymmetric unit should be distinguished by an appended arabic numeral. Chemical and crystallographic numbering should be in agreement wherever possible. When it is necessary to distinguish crystallographically equivalent atoms in different asymmetric units the distinction should be made by lower-case roman numeral superscripts (i.e. i, ii, iii etc.) to the original atom labels.

Space groups should be designated by the Hermann–Mauguin symbols. Standard cell settings, as listed in Volume A of International Tables for Crystallography, should be used unless objective reasons to the contrary are stated. When a non-standard setting is used, the list of equivalent positions should be given. Hermann–Mauguin symbols should also be used for designating point groups and molecular symmetry. It is helpful if the origin used is stated explicitly where there is a choice.

The choice of axes should normally follow the recommendations of the Commission on Crystallographic Data [Kennard et al. (1967). Acta Cryst. 22, 445–449].

A symbol such as 123 or hkl without brackets is understood to be a reflection, (123) or (hkl) a plane or set of planes, [123] or [uvw] a direction, {hkl} a form and 〈uvw〉 all crystallographically equivalent directions of the type [uvw]. Other bracket notations should be explicitly defined.

If a crystallographic term carries a specific meaning but is already established with a different meaning in another field, it is acceptable to use the term in that manner as long as its intended meaning is evident within the context of the paper.

5.8. Funding information

Articles may include a Funding information section. This section aims to help authors comply with the reporting requirements of funders, and includes information on funders and grant/award numbers. Funding information should not be included in the Acknowledgements section. For more information, see https://journals.iucr.org/services/funding.html.

5.9. References

References to published work should be indicated by giving the authors' names followed immediately by the year of publication, e.g. Neder & Schulz (1998) or (Neder & Schulz, 1998). Where there are three or more authors the reference in the text should be indicated in the form Smith et al. (1998) or (Smith et al., 1998).

The reference list should be arranged alphabetically and conform with the following style:

Allen, F. H., Wood, P. A. & Galek, P. T. A. (2013). Acta Cryst. B69, 379–388.

Andrews, M., Wright, H. & Clarke, S. A. (2023). In preparation.

Carter, C. W. Jr (1990). Methods: a Companion to Methods in Enzymology, Vol. 1, pp. 12–24. New York: Academic Press.

Griesser, U. J. (2006). Polymorphism in the Pharmaceutical Industry, edited by R. Hilfiker, pp. 211–230. Weinheim: Wiley-VCH

Hervieu, M. & Raveau, B. (1983a). Chem. Scr. 22, 117–122.

Hervieu, M. & Raveau, B. (1983b). Chem. Scr. 22, 123–128.

International Union of Crystallography (2022). Crystallographic Communications, https://journals.iucr.org/e/.

Knyazev, A., Krupin, A., Gubaidullin, A. & Galyametdinov, Y. (2019). Acta Cryst. B75, https://doi.org/10.1107/S205252061900578X

Renz, F., Baran, Y., Gutlich, P. & Schollmeyer, D. (2011). CSD Communication (refcode CAMBAV; CCDC deposition number 815737). CCDC, Cambridge, England.

Reuther, C. (2013). PhD thesis. Technischen Universität Bergakademie Freiberg, Germany.

Schmidt, E. M., Bulled, J. M. & Goodwin, A. L. (2021). arXiv: 2107.13336.

Sheldrick, G. M. (2015). Acta Cryst. C71, 3–8.

Wang, B.-C. (1985). Methods Enzymol. 115, 90–112.

Note that all authors and inclusive page numbers should be given.

Identification of individual structures in the article by the use of database reference (identification) codes should be accompanied by a full citation of the original literature in the reference list.

Citations in the supporting information should appear in the main body of the article or be given in a related literature section.

6. Submission and handling of articles

6.1. Submission

All submissions should be accompanied by a covering letter that explains the significance of the work reported.

Full details of the submission procedure can be found at https://journals.iucr.org/b/services/submit.html. If the article reports a crystal structure, a CIF should be supplied (https://journals.iucr.org/b/services/cifinfo.html). Full instructions for submitting an article and details of the files required are given at https://journals.iucr.org/b/services/submitinstructions.html. Authors are encouraged to use the templates available from https://journals.iucr.org/b/services/helpsubmit.html.

A single author (the submitting author) should handle the submission of the article and be the contact for any editorial questions during the review and publication processes. The submitting author should provide an e-mail address. The published article may have one or more authors (correspondence authors) who are responsible for communications after publication and are marked with an asterisk in the published article. All authors are strongly encouraged to provide an ORCiD iD during submission.

During submission authors will be encouraged to provide a tweet about their article for use on publication; twitter handles for departments, institutions etc. will also be requested.

6.2. File format

The source files required for an article include: a single file in Word, OpenDocument or LaTeX format of the text, tables and figure of the article; and a high-resolution graphics file (minimum 600 d.p.i.) in TIFF, PostScript, encapsulated PostScript, JPEG or PNG format for each figure and scheme. Supporting information should be provided in one of the formats listed at https://journals.iucr.org/services/filetypes.html. Files should be uploaded as described in the online submission instructions.

6.3. Handling of articles

Each article is handled by an editor chosen by the author from a list of those available at the time of submission. Authors should choose an editor whose area of expertise most closely matches the subject of the article. Details of the current Editorial Board can be found at https://journals.iucr.org/b/services/editors.html.

Firm positive recommendations from two independent referees are required before a submission can be accepted for publication. The editor to whom the article is assigned is responsible for choosing referees and for accepting or rejecting the article. This responsibility includes decisions on the final form of the article and interpretation of these Notes when necessary. The Co-editor may request revisions to the article (e.g. to the title and abstract) before peer review. Further information on the peer-review process can be found at https://journals.iucr.org/b/services/peerreview.html.

Changes to an article requested by the Section Editors, Co-editor or the editorial staff should be received within two months of transmittal to the author, otherwise the submission will be considered as withdrawn. If an article is not acceptable after two revisions it will not be considered further. Any subsequent communication of the material will be treated as a new submission in the editorial process. An article that has been rejected should not be resubmitted to any IUCr journal unless the reasons given for the rejection have been fully addressed in the revised version.

After initial submission, any revised or new files should be uploaded only in response to a specific request from an editor.

For accepted articles, it is the responsibility of the Managing Editor to prepare the article for publication. This may involve correspondence with the authors and/or the responsible editor in order to resolve ambiguities or to obtain satisfactory figures or tables. The date of acceptance that will appear on the published article is the date on which the Managing Editor receives the last item required. Contact details for the Managing Editor of Acta Crystallographica Section B can be found at https://journals.iucr.org/services/contactus.html.

Articles may be checked for plagiarism using the Crossref Similarity Check service.

6.4. Transfer of articles

On rare occasions, editors may suggest the transfer of an article to another IUCr Journal, if the article appears to be more suited to the other journal. The transfer process is rapid, as articles can be seamlessly transferred from one journal to another together with the corresponding reviews. The editor of the new journal will often make a decision based on the existing reviews, but will sometimes invite additional reviewers. Note that any change to the journal of publication will only be made after full discussion with the submitting author.

6.5. Author's warranty and ethical considerations

The submission of an article is taken as an implicit guarantee that the work is original, that it is the author(s) own work, that all authors are aware of and concur with the submission, that all workers involved in the study are listed as authors or given proper credit in the acknowledgements, that the article has not already been published (in any language or medium), and that it is not being considered and will not be offered elsewhere while under consideration for Acta Crystallographica Section B. Authors should avoid multiple or redundant publication (where essentially the same research is published in more than one journal). The prior inclusion of material in an informal publication, e.g. a preprint server, is welcomed by IUCr Journals.

The co-authors of an article should be all those persons who have made significant scientific contributions to the work reported, including the ideas and their execution, and who share responsibility and accountability for the results. Other contributions should be indicated in the acknowledgements. Changes to the list of authors will normally require the agreement of the editor and all authors.

The IUCr is a member of COPE (Committee on Publication Ethics) and endorses its recommendations, including the Code of Conduct for Editors, which are available at https://www.publicationethics.org/. For more information about the ethical considerations related to publication, see the IUCr's ethical publishing policy.

Authors publishing in the journal may be asked to review articles submitted to the journal.

6.6. AI tools

Authors may make use of AI tools in preparing their articles. However, such tools may not be listed as an author, as they cannot be held accountable for the work. All co-authors of the text should carefully check for any errors introduced through the use of an AI tool. Authors who have employed an AI tool should document this use in the methods or acknowledgements sections.

6.7. Author grievance procedure

An author who believes that an article has been unjustifiably treated by the Co-editor may appeal initially to the Section Editors for a new review and, finally, to the Editor-in-chief of IUCr Journals if still aggrieved by the decision. The initial appeal must be made within three months of rejection of the article. The decision of the Editor-in-chief is final.

6.8. Licencing

Except as required otherwise by national laws, an author will be required to agree to either a licence to publish or an open-access licence (see Section 6.9[link]) before a manuscript can be accepted. Details of author rights can be found at https://journals.iucr.org/services/authorrights.html.

6.9. Open access

Authors are given the opportunity to make their articles open access. Authors of open-access articles will not be asked to transfer copyright to the IUCr, but will instead be asked to agree to an open-access licence. This licence is identical to the Creative Commons Attribution (CC-BY) Licence. Further details can be found at https://journals.iucr.org/b/services/openaccess.html.

6.10. Publication fees

There are no fees for colour figures or electronic reprints. If authors require open access there is a charge and for some authors this may be covered by a transformative deal with their institution. Full details will be given at the proof stage or see https://journals.iucr.org/b/services/openaccess.html.

7. Supporting information

In order that others can reproduce, verify and build on the work published in IUCr Journals, authors are expected to make supporting information freely available.

7.1. Purpose and scope

Supporting information (such as experimental data, additional figures and multimedia content) that may be of use or interest to some readers but does not form part of the article itself will be made available from the journal web site. Arrangements have also been made for such information to be deposited, where appropriate, with relevant databases. Authors are encouraged to make arrangements for their original raw diffraction data to be archived in a repository that assigns a doi to the data. The assigned doi should be provided during the submission process and a link from the article to the data will be made upon publication.

7.2. IUCr archive

All material for deposition in the IUCr archive should be supplied in one of the formats described at https://journals.iucr.org/services/filetypes.html. Structural information (for small-molecule structures) should be supplied in CIF format.

7.3. Powder diffraction data

Authors of powder diffraction articles should consult the notes provided at https://journals.iucr.org/services/cif/powder.html. For articles that present the results of powder diffraction profile fitting or refinement (Rietveld) methods, the primary diffraction data, i.e. the numerical intensity of each measured point on the profile as a function of scattering angle, must be deposited.

8. Author information and services

An author services page is available at https://journals.iucr.org/b/services/authorservices.html.

8.1. Author tools

A number of tools are available to help with the preparation of articles. Word, OpenDocument and LaTeX templates can be downloaded from the author services page. Table tools with the Word template, the table converter at https://publcif.iucr.org/services/tools or the program publCIF may be used to prepare tables of experimental details and geometric parameters suitable for inclusion in an article.

For structural articles, CIFs can be checked using the checkCIF/PLATON service at https://checkcif.iucr.org and edited using publCIF, available from https://publcif.iucr.org.

8.2. Status information

Authors may obtain information about the current status of their articles at https://journals.iucr.org/services/status.html.

8.3. Proofs

Proofs will be provided electronically in portable document format (pdf). The submitting author will be notified by e-mail when the proofs are ready for downloading.

8.4. Reprints

After publication, the submitting author will be able to download the electronic reprint of the published article, free of charge.

8.5. Open-access articles

The final published version of each IUCr open-access article is deposited with PubMed Central on behalf of the authors.

8.6. Publicising your article

There are many ways in which the IUCr promotes and raises awareness of articles published in its journals. More information on this and suggestions on how to publicise your articles can be found at https://journals.iucr.org/b/services/articlepublicity.html.

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds