A Continuous Electron Density Approach in Rietveld Analysis for Structure Investigations of the Mesoporous Silicate Materials
Научная публикация
| Общее |
Язык:
Английский,
Жанр:
Статья (Full article),
Статус опубликования:
Опубликована,
Оригинальность:
Оригинальная
|
| Конференция |
49th Annual Denver X-ray Conference
31 июл. - 4 авг. 2000
,
Denver, Colorado
|
| Журнал |
Advances in X-Ray Analysis
ISSN: 0376-0308
|
| Вых. Данные |
Год: 2001,
Том: 44,
Страницы: 110-115
Страниц
: 6
|
| Авторы |
Solovyov L.A.
1
,
Kirik S.D.
1
,
Shmakov A.N.
2
,
Romannikov V.N.
2
|
| Организации |
| 1 |
Institute of Chemistry and Chemical Engineering, K.Marx str., 42, Krasnoyarsk 660049, Russia
|
| 2 |
Boreskov Institute of Catalysis, Novosibirsk 630090, Russia
|
|
Информация о финансировании (1)
|
1
|
International Association for the Promotion of Co-operation with Scientists from the New Independent States of the Former Soviet Union
|
IR-97-0676
|
A procedure of the structure factor simulation from a continuous electron density representation in combination with the full-profile structure refinement (Rietveld technique) was developed and applied to structural characterization of pure siliceous mesoporous mesophase materials C16-SiO2-MMM of the MCM-41 type. An analytical function was exploited to simulate the continuous electron density. The function arguments were used as refinable structure parameters. The technique allows both the least-squares refinement of structural parameters using the fullprofile fitting and the E-map calculations providing additional information on the structure details. Determined pore sizes were in good agreement with those obtained by independent absorption-based method. The pore shape was found to be close to hexagonal geometry.