Ab initio crystal structure determination of Na2Si3O7 from conventional powder diffraction data
✍ Scribed by V. Kahlenberg; B. Marler; J.C. Muñoz Acevedo; J. Patarin
- Book ID
- 114370475
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 455 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1293-2558
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NaCaAIF6 is prepared by solid state reaction as poor quality crystals. The structure is determined ab initio from conventional X-ray powder data. The cell is monoclinic, space group P21/c, Z = 8, with a = 8.7423(3) A, b = 5.1927(2) A, c = 20.3514(9) A and 13 = 91.499(2) °. The final Rietveld refinem
The crystal structure of the a phase of malonic acid has been determined ab initio from high-resolution neutron powder diffrao tion data at 373 K. Thestructure is orthorhombic: a-7.64800( 1) A, b=5.0211 I (I) A, c= 11.55803(2) A, V,=443.84\_A3 with four molecules in the unit cell and is character&d