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Crystal Chemistry and Specific Crystal Structures
Published in David W. Richerson, William E. Lee, Modern Ceramic Engineering, 2018
David W. Richerson, William E. Lee
We now have enough background information on crystal chemistry and on crystal structure notation to begin our review of crystal structures. We will start with the simple metallic structures and then proceed to the ceramic structures. Simple metallic structures are based on single-sized atoms in a close-packed arrangement. Many of the ceramic structures consist of close-packed arrangements of anions with one or more types of cations positioned in octahedral or tetrahedral sites. These structures tend to be dominated by ionic bonding. Other ceramic structures consist of isolated tetrahedra and octahedra that are bonded together by sharing of corners or edges. These are not close packed and have a higher degree of directional covalent characteristics.
Thermodynamics and Phase Transformations in Thermoelectric Materials: Applications to the Development of New Materials
Published in D. M. Rowe, Materials, Preparation, and Characterization in Thermoelectrics, 2017
Moreover, by a crystal structure analysis of the compounds, information about the sublattice modeling can be used. Associating phase diagram and crystal chemistry, the two intermetallic compounds can be modeled by a four-sublattice model and according to Ref. [3], the model for the Gibbs energy calculations should be a four-sublattice model with two antimony sublattices (Sb1, Sb2), one zinc and one vacancy sublattice including zinc as interstitial.
Properties of Solids
Published in W. M. Haynes, David R. Lide, Thomas J. Bruno, CRC Handbook of Chemistry and Physics, 2016
W. M. Haynes, David R. Lide, Thomas J. Bruno
4. N. V. Belov, Class Method of Deriving Space Groups of Symmetry, Trudy Instituta Kristallodraffi imeni Fedorova (Transactions of the Fedorov Inst. of Crystallography), 5, 25, 1951, in Russian. 5. W. B. Pearson, Handbook of Lattice Spacings and Structures of Metals and Alloys, Vol. 1, Pergamon Press, 1958; Vol. 2, 1967. 6. Ch. Kittel, Introduction to Solid State Physics, John Wiley & Sons, 1956. 7. G. S. Zhdanov, Fizika Tverdogo Tela (Solid State Physics), Moscow University Press, 1962, in Russian. 8. M. J. Buerger, Elementary Crystallography, John Wiley & Sons, 1963. 9. F. D. Bloss, Crystallography & Crystal Chemistry, Holt, Rinehart & Winston, 1971. 10. T. Janssen, Crystallographic Groups, North-Holland/American Elsevier, 1973. 11. M. P. Shaskolskaya, Kristallografiya (Crystallography), Vysshaya Shkola, Moscow, 1976, in Russian. 12. T. Hahn, Ed., Internat. Tables for Crystallography, Vol. A, D. Reidel Publishing, Boston, 1983. 13. Crystal Data. Determinative Tables, Volumes 1-6, 1966-1983, JCPDSIntern Centre for Diffraction Data and U.S. Dept. of Commerce. 14. R. W. G. Wyckoff, Crystal Structures, 2nd ed., Volumes 1-6, Interscience, New York, 1963. 15. C. J. Bradley and A. P. Cracknell, The Mathematical Theory of Symmetry in Solids, Clarendon Press, Oxford, 1972. 16. International Tables for Crystallography. Volume A, Space-Group Symmetry, T. Hahn, Ed., 1989; Volume B, Reciprocal Space, U. Schmueli, Ed.; Volume C, Mathematical, Physical and Chemical
The influence of tail chain length on oil film detachment: C2nTAB series (n = 4 − 9)
Published in Petroleum Science and Technology, 2022
Lixia Zhou, Youguo Yan, Wenhao Song
In this work, a silica surface was considered as exposed surface (Liang et al. 2019) with dimensions of 6.44 × 2.97 × 1.4 nm3, and the z-axis is perpendicular to the silica face. The silica surface was generated by cleaving the α-quartz along the (0 0 1) crystallographic orientation and hydroxylated with hydroxyl with a density of 7.64 nm−2 to demonstrate water-saturated rock (Skelton et al. 2011), which was consistent with crystal chemistry calculations (5.9 ∼ 18.8 nm−2) (Koretsky, Sverjensky, and Sahai 1998). 142 dodecane molecules were randomly placed on the silica surface to simulate adsorbed oil film. Periodic boundary conditions were applied in all three dimensions. Initially, the structure was optimized using the steepest descent method. Subsequently, a 10 ns equilibrium molecular dynamics simulation was performed under the NVT ensemble at 300 K, which allowed the system to reach equilibrium adsorption configuration of oil molecules on the silica surface. During the whole MD simulation, the silica surface was kept fixed. The final equilibrium configuration of the system and density of oil was shown in Figure 1a and 1b. It can be seen that C12 molecules orderly adsorb on the silica surface and form a four-layer structure, giving four clear density peaks. The top view of the first layer, second layer, third layer and forth layer of oil molecules in final equilibrium configuration could be seen in Figure 1c.
Some characterizations of a new metal–organic framework (n-C14H29NH3)2CdCl4 and the role of hydrogen bonding
Published in Phase Transitions, 2018
According to Mitzi [43], the hydrogen bond is very important in crystal chemistry, it influences not only the titling of the alignment of spacing of the nearest number of neighbor of perovskite sheet, but also the degree of titling corner-sharing octahedral and the progression of the structural phase transitions with increasing temperature.
Beneficiation of lithium bearing pegmatite rock: a review
Published in Mineral Processing and Extractive Metallurgy Review, 2022
Saroj Kumar Sahoo, Sunil Kumar Tripathy, A. Nayak, K. C. Hembrom, S. Dey, R. K. Rath, M. K. Mohanta
Albite and other aluminosilicate minerals (such as spodumene) have similar surface chemistries and complicated crystal structures and are less selective in conventional fatty acid collectors, which makes flotation separation challenging. Little research has been done on the atomic-level surface properties and the impact of various crystal interfaces on flotation behavior. According to research by Moon and Fuerstenau (2003), spodumene’s distinctive surface crystal chemistry plays a significant role in the mineral’s selectivity when floated with an oleate collector to separate it from other pegmatite aluminosilicate minerals such muscovite, feldspar, and quartz. It was found that the contact angle of the (110) cleavage plane of spodumene is more than the (001) crystal plane. It is due to the preferential adsorption of oleate on the (110) cleavage plane compared to the (001) crystal plane (Moon and Fuerstenau 2003). According to Xu et al. (2016a), the spodumene (1 1 0) plane is preferable to the (0 0 1) for chemisorbing NaOl. Therefore, if selective comminution or grinding technique is utilized that favors the generation of (1 1 0) planes, additional improvement in spodumene flotation is conceivable. The variation in contact angle with pH for the spodumene (110) and (001) surfaces was discovered by Xu et al. (2017). The two planes’ in-water contact angles were under 20°, demonstrating spodumene’s potent hydrophilicity. The pH level of the solution somewhat influences the contact angle of the mineral surface, and the contact angle is only lowered in the presence of strong acids and alkalis. The two crystal faces’ hydrophobicity is arranged (110) > (001). Zhu et al. (2019a)investigated the wetting properties of specific spodumene surfaces (1 1 0, 0 0 1, 0 1 0, and 1 0 0 crystal surfaces) in the absence and presence of collectors to selectively flotation separate spodumene from other aluminosilicate minerals. It demonstrated that all four spodumene surfaces were hydrophilic by nature but that sodium oleate preferentially adsorbed on the surfaces (1 0 0) and (1 1 0) in the presence of collectors led to the development of a hydrophobic surface state (Zhu et al. 2019a).