H2O和D2O冰Ih在10 ~ 265 K间的晶格常数和热膨胀。附录。

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-02-01 Epub Date: 2012-01-06 DOI:10.1107/S0108768111046908

K Röttger, A Endriss, Jörg Ihringer, S Doyle, W F Kuhs

{"title":"H2O和D2O冰Ih在10 ~ 265 K间的晶格常数和热膨胀。附录。","authors":"K Röttger, A Endriss, Jörg Ihringer, S Doyle, W F Kuhs","doi":"10.1107/S0108768111046908","DOIUrl":null,"url":null,"abstract":"In a previous paper we reported the lattice constants and thermal expansion of normal and deuterated ice Ih [Röttger et al. (1994). Acta Cryst. B 50, 644-648]. Synchrotron X-ray powder diffraction data were used to obtain the lattice constants and unit-cell volumes of H(2)O and D(2)O ice Ih in the temperature range 15-265 K. A polynomial expression was given for the unit-cell volumes. It turns out that the coefficients quoted have an insufficient number of digits to faithfully reproduce the volume cell data. Here we provide a table with more significant digits. Moreover, we also provide the coefficients of a polynomial fit to the previously published a and c lattice constants of normal and deuterated ice Ih for the same temperature range.","PeriodicalId":7107,"journal":{"name":"Acta Crystallographica Section B-structural Science","volume":"68 Pt 1","pages":"91"},"PeriodicalIF":1.9000,"publicationDate":"2012-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108768111046908","citationCount":"140","resultStr":"{\"title\":\"Lattice constants and thermal expansion of H2O and D2O ice Ih between 10 and 265 K. Addendum.\",\"authors\":\"K Röttger, A Endriss, Jörg Ihringer, S Doyle, W F Kuhs\",\"doi\":\"10.1107/S0108768111046908\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In a previous paper we reported the lattice constants and thermal expansion of normal and deuterated ice Ih [Röttger et al. (1994). Acta Cryst. B 50, 644-648]. Synchrotron X-ray powder diffraction data were used to obtain the lattice constants and unit-cell volumes of H(2)O and D(2)O ice Ih in the temperature range 15-265 K. A polynomial expression was given for the unit-cell volumes. It turns out that the coefficients quoted have an insufficient number of digits to faithfully reproduce the volume cell data. Here we provide a table with more significant digits. Moreover, we also provide the coefficients of a polynomial fit to the previously published a and c lattice constants of normal and deuterated ice Ih for the same temperature range.\",\"PeriodicalId\":7107,\"journal\":{\"name\":\"Acta Crystallographica Section B-structural Science\",\"volume\":\"68 Pt 1\",\"pages\":\"91\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2012-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1107/S0108768111046908\",\"citationCount\":\"140\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section B-structural Science\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S0108768111046908\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2012/1/6 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section B-structural Science","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S0108768111046908","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2012/1/6 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 140

摘要

在之前的论文中，我们报道了正常冰和氘化冰的晶格常数和热膨胀[Röttger et al.(1994)]。Acta结晶。[j].中国农业科学，1994,18(2):444 - 448。利用同步加速器x射线粉末衍射数据，得到了H(2)O和D(2)O冰Ih在15 ~ 265 K范围内的晶格常数和单胞体积。给出了单位胞体积的多项式表达式。事实证明，引用的系数没有足够的位数来忠实地再现卷单元数据。这里我们提供了一个具有更多有效数字的表。此外，我们还提供了在相同温度范围内正常冰和氘化冰的晶格常数a和c的多项式拟合系数。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Lattice constants and thermal expansion of H2O and D2O ice Ih between 10 and 265 K. Addendum.

In a previous paper we reported the lattice constants and thermal expansion of normal and deuterated ice Ih [Röttger et al. (1994). Acta Cryst. B 50, 644-648]. Synchrotron X-ray powder diffraction data were used to obtain the lattice constants and unit-cell volumes of H(2)O and D(2)O ice Ih in the temperature range 15-265 K. A polynomial expression was given for the unit-cell volumes. It turns out that the coefficients quoted have an insufficient number of digits to faithfully reproduce the volume cell data. Here we provide a table with more significant digits. Moreover, we also provide the coefficients of a polynomial fit to the previously published a and c lattice constants of normal and deuterated ice Ih for the same temperature range.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Acta Crystallographica Section B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 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 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 B is the forum for the publication of such contributions. 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.