Relevant bibliographies by topics / Crystal structure

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
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Academic literature on the topic 'Crystal structure'

Author: Grafiati
Published: 4 June 2021
Last updated: 25 July 2025

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Journal articles on the topic "Crystal structure"

1

Cattaneo, P. "Crystal structure of La24Ru11." Acta Crystallographica Section E Crystallographic Communications 76, no. 8 (2020): 1206–8. http://dx.doi.org/10.1107/s2056989020008695.

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The compound La24Ru11 (tetracosalanthanum undecaruthenium) crystallizes in a Ce24Co11-type structure. The non-centrosymmetric crystal structure (space group P63 mc) contains RuLa6 trigonal prisms, La6 octahedra and LaRu4 tetrahedra and is closely related to that of Ce23Ni7Mg4. This communication highlights the crystal-chemical similarities and points out the differences between the two structures. All of the tested crystals were inversion twins.
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Pushcharovsky, Dmitry Yu, Simon J. Teat, Vyatcheslav N. Zaitsev, Natalia V. Zubkova, and Halil Sarp. "Crystal structure of pushcharovskite." European Journal of Mineralogy 12, no. 1 (2000): 95–104. http://dx.doi.org/10.1127/0935-1221/2000/0012-0095.

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Pushcharovsky, Dmitry Y. u., Natalia V. Zubkova, Simon J. Teat, Elizabeth Maclean, and Halil Sarp. "Crystal structure of mahnertite." European Journal of Mineralogy 16, no. 4 (2004): 687–92. http://dx.doi.org/10.1127/0935-1221/2004/0016-0687.

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Momenzadeh Abardeh, Zahrasadat, Faezeh Bahrami, and Artem R. Oganov. "Predicting co-crystal structures of N-halide phthalimides with 3,5-dimethylpyridine." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 80, no. 6 (2024): 620–27. https://doi.org/10.1107/s205252062401000x.

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Crystal structure prediction (CSP) calculations were carried out to examine potential formation of co-crystals between N-halide phthalimides (Cl, Br or I) and 3,5-dimethylpyridine (35DMP). The co-crystal structure of N-bromophthalimide (nbp) with 35DMP (nbp-35DMP) is known, and the generated co-crystal structure of rank 1 is identical to experimental structure (VELXES). For the unknown crystal structure of N-iodophthalimide (nip), structure of rank 1 is suggested as a likely co-crystal structure. On the other hand, our calculations suggest the improbability of co-crystal formation between ncp
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Ali Hakami, Nada Ali, and Hanan Ahmed Hosni Hosni Mahmoud. "Deep Learning Classification of Crystal Structures Utilizing Wyckoff Positions." Crystals 12, no. 10 (2022): 1460. http://dx.doi.org/10.3390/cryst12101460.

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In materials science, crystal lattice structures are the primary metrics used to measure the structure–property paradigm of a crystal structure. Crystal compounds are understood by the number of various atomic chemical settings, which are associated with Wyckoff sites. In crystallography, a Wyckoff site is a point of conjugate symmetry. Therefore, features associated with the various atomic settings in a crystal can be fed into the input layers of deep learning models. Methods to analyze crystals using Wyckoff sites can help to predict crystal structures. Hence, the main contribution of our ar
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Shilov, Andrey I., Evgeny O. Rakhmanov, Konstantin A. Lyssenko, Alexey N. Kuznetsov, Igor V. Morozov, and Andrei V. Shevelkov. "Crystal and Electronic Structure of Ternary Bismuthides BaTM1.8Bi2 (TM = Au, Ag) with a New Variation of the BaAu2Sb2 Structure Type." Crystals 14, no. 2 (2024): 155. http://dx.doi.org/10.3390/cryst14020155.

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Recently discovered bismuthides with the BaAu2Sb2 structure type demonstrate interesting properties and electronic structures. Here, we report successful crystal growth, crystal structure, band structure calculations, and DOS for BaAg1.8Bi2 and BaAu1.8Bi2. Grown crystals were characterized by a combination of single crystal X-ray diffraction and EDX spectroscopy. Both compounds crystallized in a new variation of BaAu2Sb2 structure type and demonstrated metallic properties according to our DFT calculations.
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Murray, Benjamin J., Christoph G. Salzmann, Andrew J. Heymsfield, Steven Dobbie, Ryan R. Neely, and Christopher J. Cox. "Trigonal Ice Crystals in Earth’s Atmosphere." Bulletin of the American Meteorological Society 96, no. 9 (2015): 1519–31. http://dx.doi.org/10.1175/bams-d-13-00128.1.

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Abstract We are all familiar with the hexagonal shape of snow and ice crystals, and it is well established that their sixfold symmetry is derived from the arrangement of water molecules in a hexagonal crystal structure. However, atmospheric ice crystals with only threefold rotational symmetry are often observed, which is inconsistent with the hexagonal crystal structure of ordinary ice. These crystals are found in a wide range of different cloud types ranging from upper-tropospheric cirrus to contrails and diamond dust and they form at temperatures ranging from about −84° to −5°C. Recent exper
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Choudhury, R. R., R. Chitra, I. P. Makarova та ін. "α-Nickel sulfate hexahydrate crystals: relationship of growth conditions, crystal structure and properties". Journal of Applied Crystallography 52, № 6 (2019): 1371–77. http://dx.doi.org/10.1107/s1600576719013797.

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Studies on α-nickel sulfate hexahydrate (NSH) crystals grown under different conditions are undertaken to investigate how changes in growth conditions affect crystal properties and whether or not there is any modification of the average crystal structure due to changes in crystallization conditions. Thermogravimetric and microhardness studies were carried out on the crystals grown from two different aqueous solutions, one of them containing an excess of sulfuric acid. Raman spectra were recorded and a single-crystal neutron diffraction investigation was conducted on both crystals. A detailed c
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Topa, Dan, Emil Makovicky, Tonči Balić-Žunić, and Peter Berlepsch. "The crystal structure of Cu2Pb6Bi8S19." European Journal of Mineralogy 12, no. 4 (2000): 825–33. http://dx.doi.org/10.1127/ejm/12/4/0825.

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Olmi, Filippo, Cesare Sabelli, and Renza Trosti-Ferroni. "The crystal structure of sabelliite." European Journal of Mineralogy 7, no. 6 (1995): 1331–38. http://dx.doi.org/10.1127/ejm/7/6/1331.

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Dissertations / Theses on the topic "Crystal structure"

1

Schiefer, Stefan. "Crystal structure of fiber structured pentacene thin films." Diss., lmu, 2007. http://nbn-resolving.de/urn:nbn:de:bvb:19-75797.

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Glass, Colin William. "Computational crystal structure prediction /." Zürich : ETH, 2008. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=17852.

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Parker, Jane Ker. "Crystal structure reactivity correlations." Thesis, University of Cambridge, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.316782.

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Strehler, Frank, Marcus Korb, and Heinrich Lang. "Crystal structure of ruthenocenecarbo­nitrile." Universitätsbibliothek Chemnitz, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-166700.

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The mol­ecular structure of ruthenocenecarbo­nitrile, [Ru([eta]5-C5H4C[triple bond]N)([eta]5-C5H5)], exhibits point group symmetry m, with the mirror plane bis­ecting the mol­ecule through the C[triple bond]N substituent. The RuII atom is slightly shifted from the [eta]5-C5H4 centroid towards the C[triple bond]N substituent. In the crystal, mol­ecules are arranged in columns parallel to [100]. One-dimensional inter­molecular [pi]-[pi] inter­actions [3.363 (3) Å] between the C[triple bond]N carbon atom and one carbon of the cyclo­penta­dienyl ring of the overlaying mol­ecule are present.
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Saito, Junichi. "Crystal Structure of Microbial Chitosanase." 京都大学 (Kyoto University), 1999. http://hdl.handle.net/2433/181426.

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Conti, Elena Eliana. "Crystal structure of firefly luciferase." Thesis, Imperial College London, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.244284.

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Tebbutt, Iain John. "Optical activity and crystal structure." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.302911.

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Rowsell, Sian. "Crystal structure of carboxypeptidase G←2." Thesis, Imperial College London, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.362421.

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Yang, Lusann Wren. "Data Mining Chemistry and Crystal Structure." Thesis, Harvard University, 2014. http://dissertations.umi.com/gsas.harvard:11454.

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The availability of large amounts of data generated by high-throughput computing and experimentation has generated interest in the application of machine learning techniques to materials science. Machine learning of materials behavior requires the use of feature vectors that capture compositional or structural information influence a target property. We present methods for assessing the similarity of compositions, substructures, and crystal structures. Similarity measures are important for the classification and clustering of data points, allowing for the organization of data and the predicti
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Campbell, Josh E. "Crystal structure prediction of organic semiconductors." Thesis, University of Southampton, 2017. https://eprints.soton.ac.uk/414008/.

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This thesis presents the use of crystal structure prediction (CSP) in the evaluation and design of novel organic semiconductors. Heteroatom substitution into common organic semiconductors (pentacene in this thesis) oers a way of modulating their crystal packing and electronic properties. Initially CSP was performed on six human designed molecules and the charge mobility of their predicted crystal structures was calculated. The packing landscapes changed signicantly from the unsubstituted pentacene. We found that seven nitrogen atoms led to a landscape showing a range of packing motifs, while s
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Books on the topic "Crystal structure"

1

R, Desiraju G., ed. Crystal design: Structure and function. Wiley, 2003.

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Massa, Werner. Crystal Structure Determination. Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-662-06431-3.

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Massa, Werner. Crystal Structure Determination. Springer Berlin Heidelberg, 2000. http://dx.doi.org/10.1007/978-3-662-04248-9.

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Massa, Werner. Crystal Structure Determination. Springer Berlin Heidelberg, 2004.

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Massa, Werner. Crystal structure determination. 2nd ed. Springer, 2003.

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O'Keeffe, Michael. Crystal structures. Mineralogical Society of America, 1996.

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F, David W. I., ed. Structure determination from powder diffraction data. Oxford University Press, 2006.

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Desiraju, Gautam R., ed. Crystal Design: Structure and Function. John Wiley & Sons, Ltd, 2003. http://dx.doi.org/10.1002/0470868015.

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N, Trueblood Kenneth, ed. Crystal structure analysis: A primer. 2nd ed. Oxford University Press, 1985.

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N, Trueblood Kenneth, ed. Crystal structure analysis: A primer. 3rd ed. Oxford University Press, 2010.

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Book chapters on the topic "Crystal structure"

1

Borchardt-Ott, Walter. "Crystal Structure." In Crystallography. Springer Berlin Heidelberg, 1995. http://dx.doi.org/10.1007/978-3-642-57754-3_4.

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Dietrich, R. V. "Crystal Structure." In The Tourmaline Group. Springer US, 1985. http://dx.doi.org/10.1007/978-1-4684-8085-6_3.

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Anderson, J. C., K. D. Leaver, R. D. Rawlings, and J. M. Alexander. "Crystal Structure." In Materials Science. Springer US, 1990. http://dx.doi.org/10.1007/978-1-4899-6826-5_6.

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Böer, Karl W. "Crystal Structure." In Handbook of the Physics of Thin-Film Solar Cells. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-36748-9_2.

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Wold, Aaron, and Kirby Dwight. "Crystal Structure." In Solid State Chemistry. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1476-9_1.

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Borchardt-Ott, Walter. "Crystal Structure." In Crystallography. Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-662-00608-5_4.

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Jain, Vimal Kumar. "Crystal Structure." In Solid State Physics. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-030-96017-9_1.

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Christensen, Thomas M. "Crystal Structure." In Understanding Surface and Thin Film Science. CRC Press, 2022. http://dx.doi.org/10.1201/9780429194542-4.

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Jha, Ashok Kumar. "Crystal Structure." In Solid-State Chemistry. Apple Academic Press, 2023. http://dx.doi.org/10.1201/9781003328629-3.

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Borchardt-Ott, Walter. "Crystal Structure." In Crystallography. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-16452-1_4.

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Conference papers on the topic "Crystal structure"

1

Xue, Z., B. Wan, L. Chen, S. Zhao, and D. Ding. "Structure-activity relationship of LYSO:Ce crystal." In 2024 IEEE Nuclear Science Symposium (NSS), Medical Imaging Conference (MIC) and Room Temperature Semiconductor Detector Conference (RTSD). IEEE, 2024. http://dx.doi.org/10.1109/nss/mic/rtsd57108.2024.10655088.

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Higashi, Iwami, Masayoshi Kobayashi, Jonte Bernhard, Christian Brodhag, and François Thévenot. "Crystal structure of B6O." In Boron-rich solids. AIP, 1991. http://dx.doi.org/10.1063/1.40870.

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Kakiuchida, Hiroshi, and Akifumi Ogiwara. "Simple-structure thermoresponsive PNLCs for smart windows." In Emerging Liquid Crystal Technologies XV, edited by Liang-Chy Chien and Dirk J. Broer. SPIE, 2020. http://dx.doi.org/10.1117/12.2542399.

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Valle, Mario, and Artem R. Oganov. "Crystal structures classifier for an evolutionary algorithm structure predictor." In 2008 IEEE Symposium on Visual Analytics Science and Technology (VAST). IEEE, 2008. http://dx.doi.org/10.1109/vast.2008.4677351.

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Popeneciu, Horea, Carmen Tripon, Gheorghe Borodi, Mihaela Maria Pop, and Ristoiu Dumitru. "Crystal structure determination of Efavirenz." In 10TH INTERNATIONAL CONFERENCE PROCESSES IN ISOTOPES AND MOLECULES (PIM 2015). AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4938438.

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Сурнин and S. Surnin. "Crystal structure of a proton." In XXIV International Conference. Infra-m, 2016. http://dx.doi.org/10.12737/22881.

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Is represented by the system of models the crystalline structure of a Proton, consistent with the known empirical data on sensing a Proton, proton and anti-Proton annihilation, strong nuclear interactions and process of disintegration of peonies.
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Ropac, Peter, and Miha Ravnik. "Effects of waveguide surface micro-structure on the transmission of light." In Emerging Liquid Crystal Technologies XVIII, edited by Igor Muševič, Liang-Chy Chien, and Nelson V. Tabiryan. SPIE, 2023. http://dx.doi.org/10.1117/12.2647346.

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Brody, P. S. "Grating Structure in Self-Pumping Barium Titanate by Local Erasure." In Photorefractive Materials. Optica Publishing Group, 1987. http://dx.doi.org/10.1364/prm.1987.fa1.

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The photorefractive grating structure in self-pumping crystals is often difficult to assess, since observations of dielectric grating structures are difficult. Observations of patterns of scattered light within the self-pumping crystal can be used, but the results are often ambiguous.
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Ftomyn, N., Ya Shopa, and I. Sokolyuk. "Disorder of crystal structure and optical activity of langasite family crystals." In 2014 IEEE International Conference on Oxide Materials for Electronic Engineering (OMEE). IEEE, 2014. http://dx.doi.org/10.1109/omee.2014.6912335.

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Zhang, Yan-Song, Zhi-Wei Lin, Jia-De Lin, and Chia-Rong Lee. "Self-steering lasing system enabled by soft photo-actuators with sandwich-like structure." In Emerging Liquid Crystal Technologies XVII, edited by Igor Muševič, Liang-Chy Chien, and Nelson V. Tabiryan. SPIE, 2022. http://dx.doi.org/10.1117/12.2614656.

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Reports on the topic "Crystal structure"

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Zhang, Xiongzhi, Robert Bau, Jeffrey A. Sheehy, and Karl O. Christe. Crystal Structure of Hexamethylguanidinium Hexafluorosilicate Hexahydrate. Defense Technical Information Center, 1999. http://dx.doi.org/10.21236/ada408584.

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Zhang, Xiongzhi, Robert Bau, Jeffrey A. Sheehy, and Karl O. Christe. Crystal Structure of Hexamethylguanidinium Hexafluorosilicate Hexahydrate. Defense Technical Information Center, 1998. http://dx.doi.org/10.21236/ada386864.

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Fast, L., and P. Soederlind. Crystal structure of actinide metals at high compression. Office of Scientific and Technical Information (OSTI), 1995. http://dx.doi.org/10.2172/113969.

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Lee, John. Crystal and Solution Structure of the Photoprotein Obelin. Defense Technical Information Center, 2002. http://dx.doi.org/10.21236/ada407919.

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Zhang, Rong-Guang, M. L. Westbrook, S. Nance, B. D. Spangler, D. L. Scott, and E. M. Westbrook. The three-dimensional crystal structure of cholera toxin. Office of Scientific and Technical Information (OSTI), 1996. http://dx.doi.org/10.2172/205782.

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Ho, H. M. Crystal structure and microstructure of el-Fe2O3 particles. Office of Scientific and Technical Information (OSTI), 1985. http://dx.doi.org/10.2172/6303280.

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Quiocho, Florante A., and Alexei Nickitenko. Atomic Crystal Structure of an Organophosphorus Acid Anhydrolase. Defense Technical Information Center, 2004. http://dx.doi.org/10.21236/ada422943.

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Clark, Noel A., and James F. Scott. Studies of Structure and Switching Dynamics in Ferroelectric Crystal and Liquid Crystal Thin Films. Defense Technical Information Center, 1989. http://dx.doi.org/10.21236/ada212650.

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Roeter, Richard. Crystal structure determination of β-lactoglobulin from electron micrographs. Portland State University Library, 2000. http://dx.doi.org/10.15760/etd.1478.

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Vogel, Sven C., and John David Yeager. Crystal structure and texture changes during thermal cycling of TATB. Office of Scientific and Technical Information (OSTI), 2015. http://dx.doi.org/10.2172/1170622.

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