Toward EXPO: From the powder pattern to the crystal structure

被引：6

作者：

Altomare, A

Burla, MC

Camalli, M

Carrozzini, B

Cascarano, G

Giacovazzo, C

Guagliardi, A

Moliterni, AGG

Polidori, G

Rizzi, R

机构：

[1] CNR, Dipartimento Geomineral, Ist Ricerca Sviluppo Metodol Cristallograf, I-70125 Bari, Italy

[2] Univ Perugia, Dipartimento Sci Terra, I-06100 Perugia, Italy

[3] CNR, Ist Strutturist Chim G Giacomello, Rome, Italy

来源：

EPDIC 5, PTS 1 AND 2 | 1998年 / 278-2卷

关键词：

powders; pattern decomposition; direct methods;

D O I：

10.4028/www.scientific.net/MSF.278-281.284

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Recently devised techniques for powder pattern decomposition will be discussed: they exploit the supplementary information available during the phasing process, so improving by far the pattern decomposition and the crystal structure solution process. A new package, EXPO, integrates EXTRA [1], a Le Bail-based [2] full pattern decomposition program, with a new version of SIRPOW.92 [3], a direct methods package optimized for powder data. Different ways of combining various kinds of structural information will be discussed and some applications to test structures will be presented.

引用

收藏

页码：284 / 288

页数：5

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