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

页码：284 / 288

页数：5

共 10 条

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