EXPO:: a program for full powder pattern decomposition and crystal structure solution

被引:440
作者
Altomare, A
Burla, MC
Camalli, M
Carrozzini, B
Cascarano, GL
Giacovazzo, C
Guagliardi, A
Moliterni, AGG
Polidori, G
Rizzi, R
机构
[1] Univ Bari, IRMEC, Dipartimento Geomineral, I-70125 Bari, Italy
[2] Dipartimento Sci Terra, I-06100 Perugia, Italy
[3] CNR, Ist Strutturist Chim G Giacomello, I-00016 Rome, Italy
关键词
D O I
10.1107/S0021889898007729
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
EXPO is the integration of two programs, EXTRA and SIRPOW.92, the first devoted to full powder pattern decomposition and the second to the solution and refinement of crystal structures. The program is able to exploit the prior information obtained during the crystal structure solution process for improving the classical decomposition. EXPO also allows preliminary cycles of Rietveld refinement.
引用
收藏
页码:339 / 340
页数:2
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