Inorganic crystal structures from powder data - A retrospection

被引：4
|
作者：
Smrcok, L [1 ]
Mailing, J
机构：
[1] Slovak Acad Sci, Inst Inorgan Chem, Bratislava 84236, Slovakia
[2] Slovak Univ Technol Bratislava, Dept Ceram Glass & Cement, SK-81237 Bratislava, Slovakia
来源：
POWDER DIFFRACTION | 1999年 / 14卷 / 01期
关键词：
crystal structure; powder; X-ray; neutron;
D O I：
10.1017/S0885715600010228
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
More than 10 000 inorganic structures based on both X-ray and neutron powder diffraction data were extracted from the ICSD database and analyzed considering overall trends, cell symmetries, occurrence of the space groups, complexity, precision and reliability of reported data. It was found that the major amount of structures belong to higher symmetries and have 2-5 atoms in the asymmetric unit. Less than 35% of the e.s.d.'s of atomic coordinates is less than or equal to 10(-3) and 10(-4) or better was reached in only 5% of cases. Approximately one-quarter of papers contain possibly inaccurate atomic coordinates or interatomic distances. A short review of journals publishing structures derived from powders is also given. (C) 1999 International Centre for Diffraction Data. [S0885-7156(98)01503-6].
引用
收藏
页码：5 / 9
页数：5
相关论文
共 50 条
  • [21] Solving crystal structures from powder diffraction data using Genetic Algorithms
    Kariuki, BM
    Harris, KDM
    Johnston, RL
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2001, 356 : 469 - 481
  • [22] Phasing crystal structures from powder data: About the use of the Harker sections
    Burla, MC
    Carrozzini, B
    Polidori, G
    Rizzi, R
    EPDIC 5, PTS 1 AND 2, 1998, 278-2 : 26 - 31
  • [23] Combining Techniques for Increased Accuracy of Crystal Structures from Powder Diffraction Data
    Jung, Dubravka Sisak
    Lukin, Stipe
    Halasz, Ivan
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2023, 79 : A5 - A5
  • [24] SOLVING CRYSTAL STRUCTURES FROM POWDER DATA: EXTRA AND SIRPOW PACKAGES.
    Burla, M. C.
    Altomare, A.
    Cascarano, G.
    Giacovazzo, C.
    Guagliardi, A.
    Moliterni, A. G. G.
    Polidori, G.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1996, 52 : C61 - C61
  • [25] Application of the S-FFT phasing method to the solution of inorganic structures from powder data
    Miravitlles, Carlos
    Rius, Jordi
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : C212 - C213
  • [26] Adventures in Solving Structures of Inorganic Compounds Using Powder Diffraction Data
    Kaduk, James A.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2005, 61 : C100 - C100
  • [27] Crystal and magnetic structures of inorganic-organic frameworks using powder diffraction
    Saines, Paul J.
    Cheetham, Anthony K.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2011, 67 : C238 - C239
  • [28] Advanced perspectives in the EXPO software for solving crystal structures from powder diffraction data
    Cuocci, Corrado
    Corriero, Nicola
    Baldassarre, Francesco
    Dell'Aera, Marzia
    Falcicchio, Aurelia
    Rizzi, Rosanna
    Altomare, Angela
    JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2022, 55 : 411 - 419
  • [29] SOLVING MOLECULAR CRYSTAL STRUCTURES FROM POWDER DIFFRACTION DATA USING GENETIC ALGORITHMS
    Harris, K. D. M.
    Kariuki, B. M.
    Johnston, R. L.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1999, 55 : 160 - 160
  • [30] MOLECULAR CRYSTAL STRUCTURES FROM LABORATORY POWDER DIFFRACTION DATA: RELIABILITY AND REPRODUCIBILITY OF THE RESULTS
    Chernyshev, V. V.
    Yatsenko, A. V.
    Aslanov, L. A.
    Sonneveld, E. J.
    Schenk, H.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1999, 55 : 159 - 159
12345