From nature123.jiaoxiaoyang at gmail.com Sat Jul 28 17:26:03 2018 From: nature123.jiaoxiaoyang at gmail.com (Xiaoyang Jiao) Date: Sat, 28 Jul 2018 14:26:03 +0000 Subject: [Cod-bugs] bugs feedback Message-ID: Dear editor, First of all , the cod website cannot visit from China since yesterday. Second, the bugs that found and feedback still live in the web page. Third, some new bugs found as follow: 27 card No. 1534282 The Na should exchange with P in position. 29 card No. 1538744 Page should be 289-292. The correct value should be a=4.53 A?b=4.53 A?c=7.38 A?according to the paper. 30 card No. 2310000 According to the paper, a=b=4.5025 A?c=3.0123 A, and not a=b=4.5618 A?c=3.0205 A. 31 card No. 1011355 Year of publication should be 1923, not 1924. 32 card No. 9011091-9011098 Too many duplicate. 9011095=9011091, 9011092=9011096, 9011097=9011093. 33 card No. 2106476 The chemical name 4Na2SO4.2H2O2.NaCl does not match the formula O20S4. 34 card No. 1537066 The chemical name Li2(SO4) does not match the formula O4S. Sincerely, Jiao Xiaoyang -------------- next part -------------- An HTML attachment was scrubbed... URL: From nature123.jiaoxiaoyang at gmail.com Sun Jul 29 10:33:04 2018 From: nature123.jiaoxiaoyang at gmail.com (Xiaoyang Jiao) Date: Sun, 29 Jul 2018 07:33:04 +0000 Subject: [Cod-bugs] =?utf-8?q?=28no_subject=29?= Message-ID: Dear editor and Antanas Vaitkus,Jiao I am very glad to see the progress of COD, and also the bugs found have been repaired. The reason that I can not visit COD yesterday is that I had used the old address "http://qiserver.ugr.es/cod/index.php". I find it has been changed to " http://www.crystallography.net/cod/search.html" today! Thanks Jiao Xiaoyang 20180729 -------------- next part -------------- An HTML attachment was scrubbed... URL: From antanas.vaitkus90 at gmail.com Sun Jul 29 16:35:02 2018 From: antanas.vaitkus90 at gmail.com (Antanas Vaitkus) Date: Sun, 29 Jul 2018 16:35:02 +0300 Subject: [Cod-bugs] =?utf-8?q?=28no_subject=29?= In-Reply-To: References: Message-ID: Dear Jiao Xiaoyang, I will respond to Your other bugs reports in a separate e-mail. As for the COD address, it has not changed -- You have simply been using the COD mirror site which recently went down for some reason. In order to reduce the load on our main site (www.crystallography.net/cod) the COD has several mirror websites: * http://cod.ibt.lt/ * http://cod.ensicaen.fr/ * http://qiserver.ugr.es/cod/ * http://nanocrystallography.org/ They should all contain the same data. For more information see http://wiki.crystallography.net/codmirrors/. Sincerely, Antanas Vaitkus 2018-07-29 10:33 GMT+03:00 Xiaoyang Jiao : > > > Dear editor and Antanas Vaitkus,Jiao > > I am very glad to see the progress of COD, > and also the bugs found have been repaired. > > The reason that I can not visit COD yesterday is that I had used the old > address "http://qiserver.ugr.es/cod/index.php". > I find it has been changed to "http://www.crystallography. > net/cod/search.html" today! > > > Thanks > > Jiao Xiaoyang > 20180729 > > > > -- Antanas Vaitkus, PhD student at Vilnius University Institute of Biotechnology, room V325, Saul?tekio al. 7, LT-10257 Vilnius, Lithuania -------------- next part -------------- An HTML attachment was scrubbed... URL: From antanas.vaitkus90 at gmail.com Sun Jul 29 19:52:06 2018 From: antanas.vaitkus90 at gmail.com (Antanas Vaitkus) Date: Sun, 29 Jul 2018 19:52:06 +0300 Subject: [Cod-bugs] COD bugs feedback In-Reply-To: References: Message-ID: Dear Jiao Xiaoyang, thank You for Your bug report. 2018-04-20 16:14 GMT+03:00 Xiaoyang Jiao : > Dear editer > until now these COD bugs have been found: > > 1 > card No. 1527521 > JSmol, > when in 400?and 800?, only the Cd and F, no Pb can be seen. > While in 200?and below, only the Pb and F, no Cd can be seen. > We use the default JSmol settings to display structures on our website. As such, this should not be considered as a bug of the COD. > > 2 > card No. 4030528 > The Bibliography information of the card can not be found from the Journal. > "Gredin, P.; de Kozak, A.; Chassaing, J.; Quarton, M. > The binary system CuF2-CdF2. Structural, spectroscopic and magnetic > studies on CdCuF4 > European Journal of Solid State and Inorganic Chemistry, 1993, 30, 789-800" > Sorry, I am not sure I understand the bug report. Could You elaborate? > 3 > card No. 2100003 > The Formula is CdF6Tb, but the Calculated formula is CaF6Tb. Cd? or > Ca? > I have corrected the formula to "Cd F6 Tb". > > 4 > card No. 5910099 > Year of publication 1931----but, the second edition is in 1963. > p261 should be in volume 2? > Sadly, I cannot confirm the origin of the data in the CIF file since I do not have access to the book. 5 > card No. 2002028 > the JSmol can not display normaly. > In this instance JSmol displays the crystallographic and not the molecular interpretation of the data. Since this issue only involved the way JSmol displays the data it should not be considered a bug of the COD. > 6 > card No.1010697 > The JSmol can not display. > > 7 > card No. 1010698 > The JSmol can not display. > > 8 > card No. 1010699 > The JSmol can not display. > Entries 1010697, 1010698, 1010699 do not contain atomic coordinates since this information was not provided in the original publication. > 9 > card No. 1011271 > The JSmol can not display. > Entry 1011271 does not contain atomic coordinates since this information was not provided in the original publication. > 10 > card No.9011290?9011291?9011292? > duplicate > These entries are NOT considered duplicates since they were measured under different conditions (in this case different resolution). See, http://wiki.crystallography.net/duplicate_entry > > 11 > card No.6000392 > The JSmol can not display. > Previously, the CIF file did not contain any coordinates. I have now added them. > 12 > card No.6000393 > The JSmol can not display. > Entry 6000393 does not contain atomic coordinates since this information was not provided in the original publication. 13 > card No.6000652 > The JSmol can not display. > Previously, the CIF file did not contain any coordinates. I have now added them. 14 > card No. 1008305-1008310 > There is no data > Entries 1008305-1008310 do not contain atomic coordinates since this information was not provided in the original publication. > 15 > card No. 9008065,9008066,9008067 > duplicate > These entries are NOT considered duplicates in the COD since they describe crystals of different compositions. See, http://wiki.crystallography.net/duplicate_entry > 16 > card No.1523214 > No ZnTe lattice data can be found from the paper cited. > J.L. Baudour, M.M. Granger, L. Toupet, R. Granger, R. Triboulet, > Composition dependence of thermal vibrations in Hg1-xZnxTe solid > solutions determined by X-Ray diffraction, > Journal of Physics and Chemistry of Solids, 50(3):309-318, 1989. > As far as I understand the the ZnTe lattice data is taken from Table 1, crystal 1, under x = 1. > > 17 > card No.1540103 > No ZnTe lattice parameter can be found from the paper cited. Why NaCl, and > not ZnS type? > Holland, H.J.; Beck, K., > Thermal expansion of zinc telluride from 0 to 460 C, > Journal of Applied Physics, 39:3498 - 3499, 1968. > The lattice parameter is reported in the table 1 under 23-26 C. As for why the NaCl type was chosen instead of ZnS type is also not completely clear to me. The uploader of the original CIF did not provide any details. This needs to be investigated further. > > 18 > card No.1010538, 1010535 > ZnTe, the same data in the two documents, but one is ZnS type, one NaCl. > Which is correct? > > The paper describing this publication is quite old (1926). At that time, the authors could not decide between the two space groups so both are provided as alternatives for historic purposes. > Sincerely > > Jiao xiaoyang > China > 20180420 > > _______________________________________________ > Cod-bugs mailing list > Cod-bugs at lists.crystallography.net > http://lists.crystallography.net/cgi-bin/mailman/listinfo/cod-bugs > > -- Antanas Vaitkus, PhD student at Vilnius University Institute of Biotechnology, room V325, Saul?tekio al. 7, LT-10257 Vilnius, Lithuania -------------- next part -------------- An HTML attachment was scrubbed... URL: