Forms of solid solution ordering upon decreasing temperature

Филатов, С. К.; Shablinskii, Andrey P.; Волков, С. Н.; Бубнова, Р. С.

doi:10.1134/s0022476617010206

Cited by 6 publications

(2 citation statements)

References 58 publications

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“…Crystal structures of belomarinaite and similar (aphthitalite-like) minerals can be described as pseudo-close-packed cationic arrays with hexagonal layers parallel to (001) [32][33][34][35][36][37], as well as mixed frameworks consisting of columns formed by octahedral-tetrahedral clusters of MO6 octahedra that share six vertices with six adjacent SO4 tetrahedra [37] (Figure 4). If the temperature of the crystal increases, the thermal motion of atoms increases, e.g., [38,39], and the areas of solid solutions' miscibility increases with increasing temperature. The thermal motion of atoms gradually decreases with a decrease in temperature.…”

Section: Temperature-dependent Inheritance Of Knaso 4 Structural Tran...mentioning

confidence: 99%

“…The thermal motion of atoms gradually decreases with a decrease in temperature. If the temperature of the crystal increases, the thermal motion of atoms increases, e.g., [38,39], and the areas of solid solutions' miscibility increases with increasing temperature. The thermal motion of atoms gradually decreases with a decrease in temperature.…”

Section: Temperature-dependent Inheritance Of Knaso 4 Structural Tran...mentioning

confidence: 99%

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Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions

Shablinskii,

Bubnova,

Shorets

et al. 2023

Crystals

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Belomarinaite KNaSO4 (space group P3m1, a = 5.6072(3), c = 7.1781(4) Å and Z = 2) has been studied by high-temperature single crystal X-ray diffraction. The K and Na atoms are disordered, and M1(1c) and M2(1b) sites merge into an M1(2d)(K50%/Na50%) site with increasing temperature, and novel translationsgleiche phase transition of belomarinaite KNaSO4 (P3m1 → P-3m1) was revealed at 123 °C. Then, the temperature increase leads to phase transition of P3¯m1-polymorph of KNaSO4 to α-KNaSO4 (P63/mmc) at 446 °C, and sodium and potassium atoms in K1(1a) and Na1(1b) sites merged into an M4(2a)(K50%/Na50%) site. Crystal structures of KNaSO4 were refined at 300, 500 and 750 °C to R1 = 0.057, 0.056 and 0.048, respectively. The BVS maps and bond-valence energy landscape (BVEL) have been calculated, and the probability of the Na+ migration has been predicted using structural data for belomarinaite at 25 °C. The Na+ ion migration can occur at 2.14 eV in the ab plane and 2.80 eV along the c axis at 25 °C.

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Section: Temperature-dependent Inheritance Of Knaso 4 Structural Tran...mentioning

confidence: 99%

Section: Temperature-dependent Inheritance Of Knaso 4 Structural Tran...mentioning

confidence: 99%

Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions

Shablinskii,

Bubnova,

Shorets

et al. 2023

Crystals

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Crystal structures inherited from parent high-temperature disordered microblocks: Ca2SiO4, Na2SO4–K2SO4 sulfates, and related minerals (bubnovaite and dobrovolskyite)

Shablinskii,

Filatov,

Biryukov

2023

Phys Chem Minerals

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Crystal structures of Ca 2 SiO 4 , Na 2 SO 4 -K 2 SO 4 sulfates and related minerals bubnovaite K 2 Na 8 Ca(SO 4 ) 6 and dobrovolskyite Na 4 Ca(SO 4 ) 3 were described as modular ones for the rst time. A microblock, or a module [M(TO 4 ) 6 ] that is consisted of an octahedron interlinked by six vertices with six adjacent tetrahedra was considered as a structural unit inherited upon cooling from a high-temperature disordered parent one. A relationship between the parent and inherited microblocks was established. As a result, fteen possible types of modules maintaining a trigonal symmetry of the microblocks were derived based on this relationship. It was shown, that the minerals and compounds structurally-related with α-Na 2 SO 4 derived superstructures were formed as a result of a cooling of the high-temperature phases containing the disordered parent microblock. Here, a driving force of the inheritance is a tendency of the structure to order upon cooling. The reasons of a formation of a microblock from the parent one are mainly determined by ionic radius and type of a cation occupying the octahedral site. A nding of minerals with the described structural features could be a promising tool for a synthesis of novel compounds with useful properties.

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Phase Equilibria in Low-Temperature Regions of Phase Diagrams

Fedorov

2024

J. Phase Equilib. Diffus.

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Forms of solid solution ordering upon decreasing temperature

Cited by 6 publications

References 58 publications

Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions

Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions

Crystal structures inherited from parent high-temperature disordered microblocks: Ca2SiO4, Na2SO4–K2SO4 sulfates, and related minerals (bubnovaite and dobrovolskyite)

Phase Equilibria in Low-Temperature Regions of Phase Diagrams

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