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Citation: Liu Yongsheng, Su Likun, Hu Ninghai, Jin Zhongsheng. THE APPLICATION OF THE SECOND RANK ALGEBRAIC FORMULAS OF STRUCTURE FACTOR PHASES Ⅰ.ON THE ESTIMATE OF O,π TYPE OF PHASES[J]. Chinese Journal of Applied Chemistry, ;1990, 7(4): 6-16. shu

THE APPLICATION OF THE SECOND RANK ALGEBRAIC FORMULAS OF STRUCTURE FACTOR PHASES Ⅰ.ON THE ESTIMATE OF O,π TYPE OF PHASES

1.
Changchun Institute of Applied Chemistry, Academia Sinica, Changchun 130022

Received Date: 14 August 1989
Available Online: 27 December 1989

Using the second rank algebraic formulas, the structure seminvariants of six different types of known crystal structure have been estimated. These phases have also been esti-mated with other approaches:the Σ₁, Σ₄ relationships of probabilistic method and the first rank algebraic formulas. The results show that compared with the probabilistic method, the algebraic method not only gives results as satisfactory as the probabilistic method does,but also increases the computing rate significantly. From the comparison between the second and first rank formula, we get a quite unexpected case-the resultss of all the six structure show unanimously that the first rank formula almost has the same application value as the second one. The first rank formula has a great advantage over the second one in reducing the computing time.
- crystal structure determination,
- second rank algebraic formula,
- structure seminvariant,
- structure factor phase
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