From jacob.kabel at ubc.ca Fri Nov 24 19:06:54 2017 From: jacob.kabel at ubc.ca (Jacob Kabel) Date: Fri, 24 Nov 2017 09:06:54 -0800 Subject: [Cod-bugs] Possible Mislabeled Entry Message-ID: <719b16f4-e0dd-2935-1942-663a3c6e0922@ubc.ca> Hi, Entry 1528427 (Al2O3) looks a lot like AlN structures published elsewhere.? I think it may be mislabeled/misidentified. -Jacob -- Jacob Kabel Electron Microscopist Department of Materials Engineering The University of British Columbia 6350 Stores Road, Room 419 Vancouver, British Columbia Canada V6T 1Z4 Phone: (604) 822-5648 Fax: (604) 822-3619 http://emlab.mtrl.ubc.ca/ From grazulis at ibt.lt Sat Nov 25 08:47:37 2017 From: grazulis at ibt.lt (=?UTF-8?Q?Saulius_Gra=c5=beulis?=) Date: Sat, 25 Nov 2017 08:47:37 +0200 Subject: [Cod-bugs] Possible Mislabeled Entry In-Reply-To: <719b16f4-e0dd-2935-1942-663a3c6e0922@ubc.ca> References: <719b16f4-e0dd-2935-1942-663a3c6e0922@ubc.ca> Message-ID: <82d503a2-ac0c-3385-f742-c5405abcbffc@ibt.lt> Dear Jacob, On 2017-11-24 19:06, Jacob Kabel wrote: > Entry 1528427 (Al2O3) looks a lot like AlN structures published > elsewhere.? I think it may be mislabeled/misidentified. Thank you for the bug report, we'll investigate. Sincerely, Saulius -- Dr. Saulius Gra?ulis Vilnius University Institute of Biotechnology, Saul?tekio al. 7 LT-10257 Vilnius, Lietuva (Lithuania) fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353 mobile: (+370-684)-49802, (+370-614)-36366 From grazulis at ibt.lt Sat Nov 25 09:58:08 2017 From: grazulis at ibt.lt (=?UTF-8?Q?Saulius_Gra=c5=beulis?=) Date: Sat, 25 Nov 2017 09:58:08 +0200 Subject: [Cod-bugs] Possible Mislabeled Entry In-Reply-To: <82d503a2-ac0c-3385-f742-c5405abcbffc@ibt.lt> References: <719b16f4-e0dd-2935-1942-663a3c6e0922@ubc.ca> <82d503a2-ac0c-3385-f742-c5405abcbffc@ibt.lt> Message-ID: Hi, once more, On 2017-11-24 19:07, cod-bugs-owner at lists.crystallography.net wrote: > Entry 1528427 (Al2O3) looks a lot like AlN structures published > elsewhere. I think it may be mislabeled/misidentified. I've looked in the original paper to double-check, and found the COD entries are exactly as reported in the paper. The 1528427 is an unusual hexagonal (H) phase, obtained after high-temperature reduction of corundum. The authors claim that "the revealed H phase cannot be identified as one of the known phases Al2 O3 with a hexagonal structure". But they might have failed to notice similarity with AlN ? which might your small discovery :). Actually, I've now looked into the COD tables: > saulius at varanas ~/ $ mysql -u cod_reader -h sql.crystallography.net cod -e 'select file, doi, year, formula, calcformula, sg, a, b, c from data where ( doi = "10.1134/s1063774508070031" or formula = "- Al N -" ) and sg like "P 63%m c%" order by year desc' > +---------+---------------------------+------+------------+-------------+------------+-------+-------+-------+ > | file | doi | year | formula | calcformula | sg | a | b | c | > +---------+---------------------------+------+------------+-------------+------------+-------+-------+-------+ > | 1528427 | 10.1134/s1063774508070031 | 2008 | - Al2 O3 - | - Al2 O3 - | P 63/m m c | 3.112 | 3.112 | 4.988 | > | 9011657 | 10.1103/PhysRevB.48.4335 | 1993 | - Al N - | - Al2 N2 - | P 63 m c | 3.11 | 3.11 | 4.98 | > | 1535440 | NULL | 1993 | - Al N - | - Al N - | P 63 m c | 3.144 | 3.144 | 5.046 | > | 9008860 | NULL | 1963 | - Al N - | - Al2 N2 - | P 63 m c | 3.111 | 3.111 | 4.978 | > | 1010514 | 10.1007/BF01328124 | 1924 | - Al N - | - Al N - | P 63 m c | 3.113 | 3.113 | 4.981 | > +---------+---------------------------+------+------------+-------------+------------+-------+-------+-------+ and indeed, the reported supposedly Al2O2 phase from Danko2008 has identical cell constants with other AlN phases! Maybe the Russian authors converted Al2O3 to AlN upon heating, and did not notice it? Although, their reducing atmosphere did not contain nitrogen... Sincerely, Saulius -- Dr. Saulius Gra?ulis Vilnius University Institute of Biotechnology, Saul?tekio al. 7 LT-10257 Vilnius, Lietuva (Lithuania) fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353 mobile: (+370-684)-49802, (+370-614)-36366 From grazulis at ibt.lt Sat Nov 25 11:30:01 2017 From: grazulis at ibt.lt (=?UTF-8?Q?Saulius_Gra=c5=beulis?=) Date: Sat, 25 Nov 2017 11:30:01 +0200 Subject: [Cod-bugs] Possible Mislabeled Entry In-Reply-To: References: <719b16f4-e0dd-2935-1942-663a3c6e0922@ubc.ca> <82d503a2-ac0c-3385-f742-c5405abcbffc@ibt.lt> Message-ID: On 2017-11-25 09:58, Saulius Gra?ulis wrote: > and indeed, the reported supposedly Al2O2 phase from Danko2008 has Typo: I meant Al2O3, sorry. -- Dr. Saulius Gra?ulis Vilnius University Institute of Biotechnology, Saul?tekio al. 7 LT-10257 Vilnius, Lietuva (Lithuania) fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353 mobile: (+370-684)-49802, (+370-614)-36366