From rodrigo.garcia at tervalis.com Mon Sep 5 11:16:50 2022 From: rodrigo.garcia at tervalis.com (Rodrigo Garcia) Date: Mon, 5 Sep 2022 10:16:50 +0200 Subject: [Cod-bugs] Possible bug in COD database. Message-ID: [image: image.png] Best regards, Rodrigo Garc?a Cantera Spain rodrigo.garcia at tervalis.com -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image.png Type: image/png Size: 60491 bytes Desc: not available URL: From andrius.merkys at gmail.com Mon Sep 5 11:36:46 2022 From: andrius.merkys at gmail.com (Andrius Merkys) Date: Mon, 5 Sep 2022 11:36:46 +0300 Subject: [Cod-bugs] Possible bug in COD database. In-Reply-To: References: Message-ID: <1c772513-adb4-7db5-08e6-481002b9ab16@gmail.com> Dear Rodrigo Garc?a Cantera, The structures you have listed as possibly buggy seem genuine to me. The original paper [1] is indeed on the structure of pyrrhotite (Re9S10), but its supplement contains two structures of fluorapatite, hence the formula of Ca5FO12P3. [1] https://onlinelibrary.wiley.com/iucr/doi/10.1107/S0108768110011845?sentby=iucr Best wishes, Andrius Merkys -- Andrius Merkys Vilnius University Institute of Biotechnology, Saul?tekio al. 7 LT-10257 Vilnius, Lithuania -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. From rodrigo.garcia at tervalis.com Mon Sep 5 12:55:23 2022 From: rodrigo.garcia at tervalis.com (Rodrigo Garcia) Date: Mon, 5 Sep 2022 11:55:23 +0200 Subject: [Cod-bugs] Possible bug in COD database. In-Reply-To: <1c772513-adb4-7db5-08e6-481002b9ab16@gmail.com> References: <1c772513-adb4-7db5-08e6-481002b9ab16@gmail.com> Message-ID: Dear Sir, Thank you for your answer and the wonderful work you are doing in COD. Best regards, Rodrigo El lun, 5 sept 2022 a las 10:36, Andrius Merkys () escribi?: > Dear Rodrigo Garc?a Cantera, > > The structures you have listed as possibly buggy seem genuine to me. The > original paper [1] is indeed on the structure of pyrrhotite (Re9S10), > but its supplement contains two structures of fluorapatite, hence the > formula of Ca5FO12P3. > > [1] > > https://onlinelibrary.wiley.com/iucr/doi/10.1107/S0108768110011845?sentby=iucr > > Best wishes, > Andrius Merkys > > -- > Andrius Merkys > Vilnius University Institute of Biotechnology, Saul?tekio al. 7 > LT-10257 Vilnius, Lithuania > -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: