Relevant bibliographies by topics / Crystal structure

Academic literature on the topic 'Crystal structure'

Author: Grafiati
Published: 4 June 2021
Last updated: 24 August 2024

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Journal articles on the topic "Crystal structure"

1

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 (February 7, 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 (July 15, 2004): 687–92. http://dx.doi.org/10.1127/0935-1221/2004/0016-0687.

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Cattaneo, P. "Crystal structure of La24Ru11." Acta Crystallographica Section E Crystallographic Communications 76, no. 8 (July 3, 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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Ali Hakami, Nada Ali, and Hanan Ahmed Hosni Hosni Mahmoud. "Deep Learning Classification of Crystal Structures Utilizing Wyckoff Positions." Crystals 12, no. 10 (October 16, 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 article is the classification of crystal classes using Wyckoff sites. The presented model classifies crystals using diffraction images and a deep learning method. The model extracts feature groups including crystal Wyckoff features and crystal geometry. In this article, we present a deep learning model to predict the stage of the crystal structure–property. The lattice parameters and the structure–property commotion values are used as inputs into the deep learning model for training. The structure–property value of a crystal with a lattice width value of one-half millimeter on average is used for learning. The model attains a considerable increase in speed and precision for the real structure–property prediction. The experimental results prove that our proposed model has a fast learning curve, and can have a key role in predicting the structure–property of compound structures.
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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 (July 17, 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 (December 27, 1995): 1331–38. http://dx.doi.org/10.1127/ejm/7/6/1331.

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Tazzoli, Vittorio, M. Chiara Domeneghetti, Fiοrenzο Mazzi, and Eliο Cannillo. "The crystal structure of chiavennite." European Journal of Mineralogy 7, no. 6 (December 27, 1995): 1339–44. http://dx.doi.org/10.1127/ejm/7/6/1339.

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Seryotkin, Yurii V., Vladimir V. Bakakin, and Igor A. Belitsky. "The crystal structure of paranatrolite." European Journal of Mineralogy 16, no. 3 (June 7, 2004): 545–50. http://dx.doi.org/10.1127/0935-1221/2004/0016-0545.

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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 (January 31, 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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Choudhury, R. R., R. Chitra, I. P. Makarova, V. L. Manomenova, E. B. Rudneva, A. E. Voloshin, and M. V. Koldaeva. "α-Nickel sulfate hexahydrate crystals: relationship of growth conditions, crystal structure and properties." Journal of Applied Crystallography 52, no. 6 (November 14, 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 comparison between the two crystal structures and their Raman spectra showed that, although the two crystal structures are very similar, there are slight differences, such as the change in unit-cell volume, differences in the ionic structure, particularly of the sulfate ions, and changes in the hydrogen-bonding network. During solution crystal growth of a salt like NSH, varying the ionic environment around the solute ions influences the interionic interactions between them. Hence it is suggested that the above-mentioned structural differences result from a fine-tuning of the interionic interaction between the cations and anions of NSH in the solution phase. This difference is finally carried over to the crystalline phase. The resulting small crystal structure differences are enough to produce measurable changes in the thermal stability and fragility of the crystals. These differences in crystal properties can be explained on the basis of the observed structural differences between the two crystals grown under different conditions.
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Dissertations / Theses on the topic "Crystal structure"

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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 prediction of materials properties.
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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 seven nitrogen atoms favours the adoption of sheet-like motifs. Substitution patterns expected to result in the highest mobilities were found to perform worse than assumed, showing the importance of tuning both molecular electronic properties and crystal engineering. A genetic algorithm was then developed to generate new nitrogen substituted pentacenes. A population members tness was calculated using two molecular properties important for electron transport in organic semiconductors. Five runs of the genetic algorithm gave 12 promising candidates for CSP and mobility calculations. The packing landscapes were similar to those of the seven nitrogen substituted human designed molecules. One genetic algorithm molecule showed a high number of high mobility structures close to the global minimum, making this molecule an attractive target for synthesis. Extensions to include CSP within the tness function of the genetic algorithm represents possible future work. Addition work included the design and testing of structure generator for the generation of trial crystal structures during a CSP. The novel structure generator performed well in locating the experimental structures of three test molecules and was used in the group's submission to the 6th blind test, of which one molecule is also presented here. The experimental structure of this molecule was located in lists ranked by lattice energy and free energy, though the free energy list ranked the experimental structure as the global minimum.
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Books on the topic "Crystal structure"

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R, Desiraju G., ed. Crystal design: Structure and function. Chichester, West Sussex, England: Wiley, 2003.

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

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

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

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

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O'Keeffe, Michael. Crystal structures. Washington, D.C: Mineralogical Society of America, 1996.

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

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Desiraju, Gautam R., ed. Crystal Design: Structure and Function. Chichester, UK: 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. New York: Oxford University Press, 1985.

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

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Book chapters on the topic "Crystal structure"

1

Borchardt-Ott, Walter. "Crystal Structure." In Crystallography, 21–26. Berlin, Heidelberg: 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, 41–66. Boston, MA: 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, 88–111. Boston, MA: 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, 23–43. Berlin, Heidelberg: 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, 3–16. Dordrecht: 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, 20–25. Berlin, Heidelberg: 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, 1–59. Cham: 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, 35–57. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9780429194542-4.

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Borchardt-Ott, Walter. "Crystal Structure." In Crystallography, 23–28. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-16452-1_4.

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Plakida, Nikolai M. "Crystal Structure." In High-Temperature Superconductivity, 10–32. Berlin, Heidelberg: Springer Berlin Heidelberg, 1995. http://dx.doi.org/10.1007/978-3-642-78406-4_2.

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Conference papers on the topic "Crystal structure"

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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. Москва: 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. Washington, D.C.: 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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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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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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Clark, S. J., G. J. Ackland, and Jason Crain. "Electronic structure calculations of liquid crystal molecules: application to chiral solutes." In Liquid Crystals, edited by Jolanta Rutkowska, Stanislaw J. Klosowicz, Jerzy Zielinski, and Jozef Zmija. SPIE, 1998. http://dx.doi.org/10.1117/12.299962.

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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. Fort Belvoir, VA: Defense Technical Information Center, March 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. Fort Belvoir, VA: Defense Technical Information Center, January 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), August 1995. http://dx.doi.org/10.2172/113969.

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Lee, John. Crystal and Solution Structure of the Photoprotein Obelin. Fort Belvoir, VA: Defense Technical Information Center, October 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), February 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), August 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. Fort Belvoir, VA: Defense Technical Information Center, May 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. Fort Belvoir, VA: Defense Technical Information Center, July 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, January 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), February 2015. http://dx.doi.org/10.2172/1170622.

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