A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties

A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties Научная публикация

Журнал

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
ISSN: 2052-5206

Вых. Данные

Год: 2025, Том: 81, Номер: 2, Номер статьи : В81, Страниц : DOI: 10.1107/s2052520625000745

Авторы

Bogdan Tatiana V. ^1,2 , Ivakin Yurii D. ^1,3 , Chernyshev Vladimir V. ^4,1 , Mashchenko Nikolay V. ² , Koklin Aleksey E. ² , Tararushkin Evgeny V. ⁵ , Fedoseev Timofei V. ² , Skiba Mariia A. ² , Bogdan Viktor I. ²

Организации

1	Department of Chemistry, M.V. Lomonosov Moscow State University, 1-3 Leninskie Gory, Moscow, 119234, Russian Federation
2	N.D. Zelinsky Institute of Organic Chemistry Russian Academy of Sciences, 47 Leninsky Prospect, Moscow, 119991, Russian Federation
3	M.V. Lomonosov Institute of Fine Chemical Technologies, MIREA-Russian Technological University, Moscow, 119454, Russian Federation
4	A. N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31 Leninsky prospect, Moscow, 119071, Russian Federation
5	HSE University, 20 Myasnitskayaulitsa, Moscow, 101000 Russian Federation

Thermovapour treatment (TVT) of SnO2 and CaO oxides in an autoclave at 673 K leads to the formation of isometric CaSnO3 perovskite-type crystals. TVT at 623 K leads to a previously unknown CaSn2O4(OH)2 phase with lamellar crystals. The structure of the new compound CaSn2O4(OH)2 was determined using powder X-ray diffraction and characterized with scanning electron microscopy, thermogravimetry–differential scanning calorimetry (TG-DSC) analysis, and IR spectroscopy. CaSn2O4(OH)2 crystallizes in space group Aba2 with Z = 4. The crystal structure consists of double layers formed from [SnO6] octahedra alternating with layers formed from [CaO8] tetragonal antiprisms. The TG-DSC study shows that the new compound CaSn2O4(OH)2 is stable up to 973 K. The thermodynamic parameters of CaSn2O4(OH)2 analysized using DFT in comparison with CaSn(OH)6 and CaSnO3. The synthesized lamellar CaSn2O4(OH)2 exhibits high catalytic activity and selectivity to C6+ products in the aldol condensation of acetone at 673 K and 12.0 MPa.

Bogdan T.V. , Ivakin Y.D. , Chernyshev V.V. , Mashchenko N.V. , Koklin A.E. , Tararushkin E.V. , Fedoseev T.V. , Skiba M.A. , Bogdan V.I.
A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2025. V.81. N2. В81 . DOI: 10.1107/s2052520625000745 Scopus OpenAlex

≡ Scopus:	2-s2.0-105002807635
≡ OpenAlex:	W4408400178