The Na2−nHn[Zr(Si2O7)]∙mH2O Minerals and Related Compounds (n = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na+-Ion Migration Paths
, Vladimir V. Shilovskikh 4, Natalya S. Vlasenko 4, Victor N. Yakovenchuk 5, Sergey M. Aksenov 1, Vladimir N. Bocharov 4 and Sergey V. Krivovichev 3,6Round 1
Reviewer 1 Report
The paper discusses several related mineralogical crystal structures. Although all the structures discussed were previously determined, one of them has been re-determined here, which agrees with previous work. The main originality in the work is therefore the analysis in terms of topological features, and the analysis of possible Na+ ion migration pathways. Though a fairly modest amount of new insight is reported, I believe there is sufficient here to merit publication. The paper on the whole is well-written, and there are new insights here. There are a few minor issues with the English (i.e. missing articles, which is a common issue in Russian-English translation). There are also a few formatting issues with the references, missing subscripts and other issues (e.g. ref 52). I have only two minor technical queries:
- How is the Na coordination number identified? (e.g. a cut-off at 3 A?) Please define this.
- Please add errors bars in all geometrical parameters discussed, such as the Si-O-Si bond angles (line 180).
Author Response
Authors of the manuscript entitled "The Na2-nHn[Zr(Si2O7)]∙mH2O minerals and related compounds (n = 0-0.5; m = 0,1): structure refinement, framework topology, and possible Na+-ion migration paths" are grateful for the all reviewers comments.
We are agree with all remarks:
- Authors formatted references as suggested rewiever.
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The coordination number of Na determined by number bonds with maximal length constrained 3.10 Å. (see Lines 109-110)
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The error bars in all geometrical parameters, such as the Si-O-Si bond angles etc. (line 180) were added to the text.
Reviewer 2 Report
The manuscript by Kabanova et al. reports a topological analysis of the member of the Na2-nHnZr(Si2O7) m H2O minerals and related compound, based on a theoretical and experimental approach. New data are reported for the mineral parakeldyshite based on XRD, EMPA and Raman spectroscopy.
The research is well designed, and the discussion and conclusions are consistent with the obtained data. I definitively suggest the publication of the paper, which content can be of interest not only for mineralogists but also for material scientists who worked on related compounds such as zeolites and in general microporous materials.
Minor comments and suggestions are listed below.
- Line123: I think there should be an “of” in the sentence “the determination OF the type ...”
- 5. Line 138: isn’t the reference [48] by Blatov et al.?
- 9 Line 223: Maybe it could be added (as supplementary material) the range 3000-3800 cm-1 of the Raman spectrum (where no bands are present)
- 11 Line 270: Please change “have been” with “has been”
References:
- 6: please change phaze with phase
- 43: The title of the paper is “Methods FOR topological…” and the pages are 160-167.
Supplementary materials:
Just for sake of clarity, I would suggest to insert the unit used for the ADPs (Å2 10-3)
Author Response
Authors of the manuscript "The Na2-nHn[Zr(Si2O7)]∙mH2O minerals and related compounds (n = 0-0.5; m = 0,1): structure refinement, framework topology, and possible Na+-ion migration paths" greatly aknowledged all the reviewer remarks and try to do all the best to improve the article.
1. Line123: I think there should be an “of” in the sentence “the determination OF the type ...”
Response: This mistake fixed
2. Line 138: isn’t the reference [48] by Blatov et al.?
Response: the text mentions reference [Baur 1974] correctly .
3. Line 223: Maybe it could be added (as supplementary material) the range 3000-3800 cm-1 of the Raman spectrum (where no bands are present)
Response: The range 3000-3800 cm-1 of the Raman spectrum was added as a supplementary material and mentioned in the line 224.
4. Line 270: Please change “have been” with “has been”
Response: This mistake fixed
5. References: 6: please change phaze with phase
Response: This mistake fixed
6. 43: The title of the paper is “Methods FOR topological…” and the pages are 160-167.
Response: This mistake fixed
7. Supplementary materials:
Just for sake of clarity, I would suggest to insert the unit used for the ADPs (Å2 10-3)
Response: This mistake fixed
