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E-mail: sabina.kovac@rgf.bg.ac.rs

Одређивање кристалних структура

О предмету

Студијски програм: Геологија (II семестар -DOS)

Назив предмета: Одређивање кристалних структура

Предавачи: др Сабина Ковач, доц. др Предраг Вулић

Статус предмета: Изборни

ЕСПБ бодови: 10

Услов: нема

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Циљ предмета: Упознавање са рендгенском структурном анализом и одређивање сложенијих кристалних структура из података добијених рендгенском дифракцијом.

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Исход предмета: Током овог курса студенти ће научити да: • одреде кристалну структуру из података добијених дифракцијом рендгенских зрака на монокристалу или поликристалном материјалу • опишу и прикажу структуру • користе различите кристалографске програме и методе за решавање структура • користе кристалографске базе података.

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Садржај предмета:

Теоријска настава
Класичне методе у рендгенској структурној анализи. Структурни фактори и Фуријеова синтеза. Патерсонова функција и метода тешког атома. Друге векторске методе. Директне методе у рендгенској структурној анализи. Утачњавање позиционих и термичких параметара. Одређивање кристалне структуре из дијаграма праха - Ритвелдова метода.

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Литература:

  1. Karanović Lj., Poleti, D., (2003) Rendgenska strukturna analiza, ZUNS, Београд
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  2. Giacovazzo, C., Monaco, H.L., Viterbo, D., Scordari, F., Gilli, G., Zanotti, G., Catti, M., (1995) Fundamentals of Crystallography, IUCr monographs on Crystallography, Oxford University Press, Oxford.
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  3. Massa, W., (2004) Crystal Structure Determination, Springer.
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  4. Müller P., Herbst-Irmer R., Spek A. L., Schneider T. R., Sawaya M. R., (2006) Crystal structure refinement: a crystallographer’s guide to SHELXL, P. Müller, editor, IUCr BOOK SERIES, Oxford University Press.
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  5. Krivovichev, S. V., (2008) Structural Crystallography of Inorganic Oxysalts, Oxford University Press, Oxford.
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Метода извођења наставе: Студенти ће учити из предавања, задатака и семинара.

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