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blackcofffee(金币+1,VIP+0):谢谢 3-18 13:59
Further information
All questions arising after acceptance of a paper, especially those concerning proofs, should be directed to:
Elsevier Journal Management
Journal of Solid State Chemistry
525 B Street, Suite 1900
San Diego, CA 92101-4495, USA
E-mail: jssc@elsevier.com
For inquiries relating to the status of accepted articles, please visit http://www.elsevier.com/locate/authors.
Proofs
Corresponding authors will receive proofs as a PDF file and the corresponding author is obliged to respond within 48 hours. To avoid delay in publication, only necessary changes should be made.
Offprints
The corresponding author, at no cost, will be provided with a PDF file of the article via e-mail or, alternatively, 25 free paper offprints. The PDF file is a watermarked version of the published article and includes a cover sheet with the journal cover image and a disclaimer outlining the terms and conditions of use.
Guidelines for Manuscripts Dealing with Crystal Structures
Because of continually changing methodologies and broadening applications to problems in solid state chemistry, the editors have established a new set of guidelines for manuscripts containing results of crystal structure analyses. These guidelines are intended to encourage systematic presentation of information commonly expected by editors, reviewers, and readers of this journal. They are to provide helpful suggestions to authors while preparing manuscripts and a "checklist" for referees.
General Requirements
The policy of this journal is that the determination of a crystal structure may be a vital, but not total, contributor to results reported. Its relative emphasis may vary considerably and manuscripts dealing with crystallography may be identified according to several categories:
(a) Those describing state-of-the-art structural determinations, in which the structure itself is the principal objective of the work; structural interpretation and relationships to solid state chemistry, however, must be prominent in the discussion.
(b) Those in which structural properties are discussed in the context of a larger problem, so that purely structural aspects are of secondary importance.
(c) Those designed to deal with problems of phase purity, chemical constitution, and the like, where rudimentary structural information suffices.
Clearly, the amount of detailed structural information required is greatly dependent upon the general nature of any given manuscript. For manuscripts dealing primarily with determining the structure of a well-characterized phase, the following guidelines should be observed. For manuscripts in which the determination of a crystal structure is a lesser part of the reported work, these should be followed sufficiently to document the adequacy of methods used to support the main conclusions of the research. In any specific instance, the degree to which the requirements and guidelines must be followed is to be assessed by referees who are recognized practitioners in the field and, ultimately, by the editors of this journal.
Supporting information and structure details: For compounds containing organic and organometallic moieties (i.e., C—H bonds) the supporting information data should be sent to the Cambridge Crystallographic Data Centre (CCDC) as an ASCII file by e-mail or as a hard copy. Do not include structure factors. Submission of CIF files is strongly recommended. (CCDC, 12 Union Road, Cambridge CB2 1EZ (UK); tel.: (44) 1223-336-408; fax: (44) 1223-336-033; e-mail: deposit@ccdc.cam.ac.uk; WWW: http://www.ccdc.cam.ac.uk.)
CCDC will assign a registry number to the data, which should be included with the following standard text in the manuscript: "Crystallographic data (excluding structure factors) for the structure(s) reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC__. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (fax: (44) 1223 336-033; e-mail: deposit@ccdc.cam.ac.uk)."
For purely inorganic compounds, the supporting information data should be sent Fachinformationszentrum Karlsruhe via e-mail or by FTP (in the last case, contact FIZ beforehand) to FIZ, 76344 Eggenstein-Leopoldshafen (Germany); tel.: (49) 7247-808-205; fax: (49) 7247-808-666; e-mail: crysdata@fiz-karlsruhe.de; FTP: ftp.fiz-karlsruhe.de (path:/pub/csd); WWW: http://crystal.fiz-karlsruhe.de under "Products and Services." Submission of CIF files is strongly recommended. A CSD number will be assigned and it should be included with the following standard text in the manuscript: "Further details of the crystal structure investigation(s) can be obtained from the Fachinformationszentrum Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany, (fax: (49) 7247-808-666; e-mail: crysdata@fiz.karlsruhe.de) on quoting the depository number CSD__."
Guidelines
A. Articles that report refined single-crystal structures must be accompanied by a crystallographic information file (CIF or equivalent).
B. The abstract should include the chemical formula, crystal system, space group (Hermann-Mauguin symbol), lattice constants with esd's, Z, type of data collection and any special refinement procedures, R factors, and a description of all significant structural features.
C. The experimental section should summarize the following information and appropriate literature references should be given: chemical formula and formula weight; source of material and its color; sample characteristics (single-crystal dimensions or particle size, if a potential problem); and yield in %. The synthetic procedures should be written clearly and concisely so others skilled in the art can readily reproduce them. Also required is information on the type of data collection, including instrument used, any correction for fluctuations in incident intensity, and (for powder diffraction) detector used, sample rocking, resolution, diffraction geometry, and step-scan intervals; type of filter or monochromator; lattice constants (with esd's) and temperature and wavelength of radiation used, and for single crystals, also cell volume and experimental and calculated densities (with esd's) if structural uncertainties remain; Z; possible space groups (and method of distinguishing between groups with the same absences); absorption coefficient and method of correcting for absorption, if necessary; number of reflections, or range of data, used in the refinement; description of the structure determination and refinement, including a brief outline of the method and program package used, values and sources of f, Δ f', and Δ f'' for X rays or of scattering lengths (b values) for neutrons, plus any relation of them to partial site occupancies, the function minimized in refinement and criteria used for terminating it, constraints imposed upon refined parameters, the forms of weights in the refinement, definitions and final values of R factors (weighted and unweighted) [e.g., R l (RF 2), R wp, R exp, S], and characterization of any extinction corrections applied.
Depending upon the particular method used, the following information should also be included.
1. For single-crystal determinations, include the number of independent reflections measured and number excluded (giving reasons) and the agreement factors between multiply measured or equivalent reflections. If a standard analysis program is used, it should be clearly identified and literature reference given; in this case, most required information will be presented implicitly. Any modifications should be fully described.
2. For Rietveld analyses and pattern decomposition studies, the 2θ step size and the total numbers of reflections and profile points should be given. If a nonstandard analysis program is used, at least the handling of peak-shape asymmetry, background, preferred orientation, standard deviations, weights, lattice parameter errors, forms of R factors, and correlation matrices should be supplied explicitly, as necessary. If fundamental to discussing the refinement, the following information should also be given, explicitly or by appropriate reference: constraints imposed; omitted regions, and justification if they are extended; identification of impurities. Any particularly significant impurity should also be characterized as an additional refinable structure (or omitted).
For pattern-recognition studies, also provide corrections made to intensities and constraints on peak-shape parameters.
3. For other methods, such as identification of superstructures, disorder, CD waves, magnetic structures, powder results (not refined), and Laue methods, provide what is appropriate at the level suggested by the preceding, e.g., magnetic form factors and a list of d obs with relative intensities (scaled 0–100).
If applicable, describe the method for indexing the diffraction patterns, and list observed and calculated line positions, including those not indexed.
4. Lattice images relevant to solid state properties should be accompanied by representative electron diffraction patterD. Discussion of the structural results should contain appropriate description of the structure and the following standard information: Tables specifying all atomic coordinates (with esd's) and important bond distances and angles (with esd's) should be included. ORTEP drawing is recommended when atomic displacements or atomic motions are significant (e.g., ionic conductors, superlattice structures solved as a substructure, and phase changes). It may be appropriate to add a table of anisotropic Debye-Waller (temperature) factors. With Rietveld analyses, a figure showing observed, calculated, and difference profiles (including background) for at least one of a series of refinements should be included. If some regions were excluded during refinement, the figure given should have the data for those regions restored, in order to expose effects of an impurity.
Any aspects of the structural results that are tentative or less firmly grounded because of problems in experimental conditions or refinement procedures should be identified to warn future readers (not having access to the data) of the possibility that the results presented could have an alternative interpretation.
For manuscripts in which a previously determined structure is further refined, clear documentation of improvements in the quality of the determination should be given, e.g., in R factor, reduced esd's, and closer equality in chemically equivalent bond distances.
E. Authors are required to supply further details of any crystal structure they are reporting as CIF files (in addition to depositing them with CCDC or ICSD databases; see "General Requirements" above). The CIF files will be sent to the reviewers along with the manuscript. Manuscripts lacking CIF files as supporting information may be delayed in the review process and the authors will be asked to supply them. |
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may be indicated as a footnote to that author's name. The address at which the author actually did the work must be retained as the main, affiliation address. Superscript Arabic numerals are used for such footnotes. 
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