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Calendar of Short Courses and Workshops 短期课程和研讨会日历
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-03-01 DOI: 10.1017/s0885715623000039
Gang Wang
{"title":"Calendar of Short Courses and Workshops","authors":"Gang Wang","doi":"10.1017/s0885715623000039","DOIUrl":"https://doi.org/10.1017/s0885715623000039","url":null,"abstract":"3–29 September 2023 ESRF/ILL International Student Summer Programme on X-Ray and Neutron Science European Photon & Neutron Science Campus (EPN), Grenoble, France [Info: https://www.esrf.fr/summerschool2023] 4–15 September 2023 25th JCNS Laboratory Course-Neutron Scattering 2023 Jülich/Garching, Germany [Info: https://www.fz-juelich.de/en/jcns/expertise/conferences-andworkshops/labcourse/labcourse-2023]","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"80 - 80"},"PeriodicalIF":0.5,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44918052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
PDJ volume 38 issue 1 Cover PDJ 38卷第1期封面
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-03-01 DOI: 10.1017/S0885715623000076
J. Kaduk, S. Gates-Rector, N. Maruthi, A. Muthuraja
{"title":"PDJ volume 38 issue 1 Cover","authors":"J. Kaduk, S. Gates-Rector, N. Maruthi, A. Muthuraja","doi":"10.1017/S0885715623000076","DOIUrl":"https://doi.org/10.1017/S0885715623000076","url":null,"abstract":"","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":" ","pages":"f1 - f7"},"PeriodicalIF":0.5,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47371111","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and X-ray diffraction data of dichloro-dioxido-(4,4′-dimethyl-2,2′-bipyridyl) molybdenum (VI) 二氯二氧化-(4,4′-二甲基-2,2′-联吡啶基)钼(VI)的合成及x射线衍射数据
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-02-20 DOI: 10.1017/S0885715623000040
J. L. Pinto, H. Camargo, N. J. Castellanos
{"title":"Synthesis and X-ray diffraction data of dichloro-dioxido-(4,4′-dimethyl-2,2′-bipyridyl) molybdenum (VI)","authors":"J. L. Pinto, H. Camargo, N. J. Castellanos","doi":"10.1017/S0885715623000040","DOIUrl":"https://doi.org/10.1017/S0885715623000040","url":null,"abstract":"The dichloro-dioxide-(4,4′-dimethyl-2,2′-bipyridyl)-molybdenum (VI) complex was prepared from molybdenum(VI)-dichloride-dioxide and 4,4′-dimethyl-2,2′-bipyridyl in CH2Cl2 obtaining a clear green solution. The molybdenum complex was precipitated using ethyl ether, separated by filtration and the light green solid washed with ethyl ether. The XRPD pattern for the new compound showed that the crystalline compound belongs to the monoclinic space group P21/n (No.14) with refined unit-cell parameters a = 12.0225(8) Å, b = 10.3812(9) Å, c = 11.7823(9) Å, β = 103.180(9)°, unit-cell volume V = 1431.79 Å3, and Z = 4.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"152 - 157"},"PeriodicalIF":0.5,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48710928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental evidence concerning the significant information depth of X-ray diffraction (XRD) in the Bragg-Brentano configuration Bragg-Brentano构型中X射线衍射（XRD）显著信息深度的实验证据
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-02-20 DOI: 10.1017/S0885715623000052
W. Wisniewski, C. Genevois, E. Véron, M. Allix
{"title":"Experimental evidence concerning the significant information depth of X-ray diffraction (XRD) in the Bragg-Brentano configuration","authors":"W. Wisniewski, C. Genevois, E. Véron, M. Allix","doi":"10.1017/S0885715623000052","DOIUrl":"https://doi.org/10.1017/S0885715623000052","url":null,"abstract":"X-ray diffraction in the Bragg-Brentano configuration (“XRD”) is a very established method. However, experimental evidence concerning its significant information depth, i.e. microstructure components from which maximum depth can affect the information evaluated from the acquired diffraction pattern, are scarce in the scientific literature. This depth is relevant to all XRD measurements performed on compact samples, especially layered composites and samples showing a crystallographic texture evolution. This article provides experimentally determined upper and lower limits to the significant information depth: XRD patterns acquired from a compact crystal layer through a layer of compact, amorphous glass indicate that the significant information depth of XRD using Cu Kα1 and Kα2 radiation is very likely larger than 48 μm, but smaller than 118 μm, in a material of the composition Mg2Al4Si5O18 with a density of ca. ~2.6 g/cm3. The depth of 48 μm correlates to the depth larger than the layer of material from which 90% of the reflected X-rays originate at 2Θ = 25.8°.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"139 - 144"},"PeriodicalIF":0.5,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49411040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of besifloxacin hydrochloride, C19H22ClFN3O3Cl 盐酸贝西沙星C19H22ClFN3O3Cl的晶体结构
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-01-27 DOI: 10.1017/S0885715622000586
J. Kaduk, S. Gates-Rector, T. Blanton
{"title":"Crystal structure of besifloxacin hydrochloride, C19H22ClFN3O3Cl","authors":"J. Kaduk, S. Gates-Rector, T. Blanton","doi":"10.1017/S0885715622000586","DOIUrl":"https://doi.org/10.1017/S0885715622000586","url":null,"abstract":"The crystal structure of besifloxacin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Besifloxacin hydrochloride crystallizes in space group P1 (#1) with a = 5.36596(8), b = 10.3234(4), c = 17.9673(14) Å, α = 98.122(5), β = 92.9395(9), γ = 96.1135(3)°, V = 977.483(13) Å3, and Z = 2. The crystal structure is approximately centrosymmetric. Strong N–H⋯Cl hydrogen bonds form a corrugated ladder-like chain along the a-axis. The carboxylic acid group in each independent cation acts as the donor in a strong intramolecular O–H⋯O hydrogen bond to an adjacent carbonyl group. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"43 - 52"},"PeriodicalIF":0.5,"publicationDate":"2023-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45256024","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of oxfendazole, C15H13N3O3S 奥芬达唑C15H13N3O3S晶体结构
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-01-27 DOI: 10.1017/S0885715622000574
J. Kaduk, S. Gates-Rector, T. Blanton
{"title":"Crystal structure of oxfendazole, C15H13N3O3S","authors":"J. Kaduk, S. Gates-Rector, T. Blanton","doi":"10.1017/S0885715622000574","DOIUrl":"https://doi.org/10.1017/S0885715622000574","url":null,"abstract":"The crystal structure of oxfendazole has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Oxfendazole crystallizes in space group P21/c (#14) with a = 18.87326(26), b = 10.40333(5), c = 7.25089(5) Å, β = 91.4688(10)° V = 1423.206(10) Å3, and Z = 4. The crystal structure consists of stacks of the planar portions of the L-shaped molecules, resulting in layers parallel to the bc-plane. Only weak hydrogen bonds are present. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"37 - 42"},"PeriodicalIF":0.5,"publicationDate":"2023-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45345760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Powder diffraction data of the Al0.931Ni1.069Sc5 compound Al0.931Ni1.069Sc5化合物的粉末衍射数据
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-01-23 DOI: 10.1017/S0885715623000015
W. Zeng, Huashan Liu
{"title":"Powder diffraction data of the Al0.931Ni1.069Sc5 compound","authors":"W. Zeng, Huashan Liu","doi":"10.1017/S0885715623000015","DOIUrl":"https://doi.org/10.1017/S0885715623000015","url":null,"abstract":"A new ternary compound Al0.931Ni1.069Sc5 has been synthesized and studied by means of the X-ray powder diffraction technique. Al0.931Ni1.069Sc5 crystallizes in the hexagonal crystal system with the Al5Co2 structure type, space group P63/mmc, with a = 8.8287(3) Å, c = 8.6959(4) Å, Z = 4 and V = 587.00 Å3, ρcalc = 3.538 g/cm3.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"161 - 163"},"PeriodicalIF":0.5,"publicationDate":"2023-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46866262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure and X-ray powder diffraction data for ruxolitinib 鲁索利替尼的晶体结构和x射线粉末衍射数据
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-01-23 DOI: 10.1017/S0885715622000604
Chung-Feng Dai, Yuanjiang Pan, Xiurong Hu
{"title":"Crystal structure and X-ray powder diffraction data for ruxolitinib","authors":"Chung-Feng Dai, Yuanjiang Pan, Xiurong Hu","doi":"10.1017/S0885715622000604","DOIUrl":"https://doi.org/10.1017/S0885715622000604","url":null,"abstract":"X-ray powder diffraction data, unit-cell parameters, and space group for ruxolitinib are reported [a = 8.7211(5) Å, b = 19.6157(15) Å, c = 18.9645(10) Å, β = 90.903(6)°, unit-cell volume V = 3243.85 Å3, Z = 8, and space group P21]. All measured lines were indexed and are consistent with the corresponding space group. No detectable impurities were observed. The single-crystal data of ruxolitinib are also reported [space group P21, a = 8.7110(2) Å, b = 19.5857(4) Å, c = 18.9372(4) Å, β = 90.8570(10)°, unit-cell volume V = 3230.53(10) Å3, Z = 8]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"69 - 73"},"PeriodicalIF":0.5,"publicationDate":"2023-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48426740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural analysis of Ba0.8Sr0.2Ti0.6Zr0.3Mn0.1O3 ceramics Ba0.8Sr0.2Ti0.6Zr0.3Mn0.1O3陶瓷的结构分析
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-01-20 DOI: 10.1017/S0885715622000598
G. Murugesan, Nandhan K. R., N. Maruthi, A. Muthuraja, Saras Bhaskar, M. Manigandan
{"title":"Structural analysis of Ba0.8Sr0.2Ti0.6Zr0.3Mn0.1O3 ceramics","authors":"G. Murugesan, Nandhan K. R., N. Maruthi, A. Muthuraja, Saras Bhaskar, M. Manigandan","doi":"10.1017/S0885715622000598","DOIUrl":"https://doi.org/10.1017/S0885715622000598","url":null,"abstract":"Polycrystalline Ba0.8Sr0.2Ti0.6Zr0.3Mn0.1O3 was synthesized by solid-state reaction at 1600°C. The single phase formation of the compound without any impurities was confirmed by the X-ray diffraction technique. The prepared compound crystallized to a cubic structure with a space group of Pm-3m and the refined lattice parameters were a = b = c = 4.0253 Ǻ, α = β = γ = 90°. Rietveld refinement was carried for the powder XRD data using GSAS software and the experimental data peaks were indexed by Powder X software.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"27 - 29"},"PeriodicalIF":0.5,"publicationDate":"2023-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42927026","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of elvitegravir Form II, C23H23ClFNO5 埃尔维替拉韦晶型II，C23H23ClFNO5的晶体结构
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-01-19 DOI: 10.1017/S0885715622000501
J. Kaduk, S. Gates-Rector, T. Blanton
{"title":"Crystal structure of elvitegravir Form II, C23H23ClFNO5","authors":"J. Kaduk, S. Gates-Rector, T. Blanton","doi":"10.1017/S0885715622000501","DOIUrl":"https://doi.org/10.1017/S0885715622000501","url":null,"abstract":"The crystal structure of elvitegravir Form II has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Elvitegravir Form II crystallizes in space group P21 (#4) with a = 11.54842(7), b = 14.04367(5), c = 13.33333(8) Å, β = 90.0330(6)°, V = 2162.427(14) Å3, and Z = 4. The crystal structure consists of alternating layers of parallel molecules perpendicular to the b-axis. The mean planes of the oxoquinoline ring systems in molecules 1 and 2 are 1(22)-1 and -1(22)1. Between the stacks are layers of the halogenated phenyl rings. These exhibit herringbone stacking. In each molecule, the carboxylic acid group forms a strong intramolecular O–H⋯O hydrogen bond to the nearby carbonyl group. The hydroxyl group of each molecule forms a strong hydrogen bond to the carbonyl group of the carboxylic acid of the other molecule. These O–H⋯O hydrogen bonds link the molecules into dimers, with a graph set R2,2(18) > a > c. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"53 - 63"},"PeriodicalIF":0.5,"publicationDate":"2023-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44706684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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