| Title |
Crystal structure refinement of synthetic pure gyrolite / |
| Another Title |
Sintetinio girolito kristalinės struktūros patikslinimas. |
| Authors |
Baltušnikas, Arūnas ; Šiaučiūnas, Raimundas ; Lukošiūtė, Irena ; Baltakys, Kęstutis ; Eisinas, Anatolijus ; Kriūkienė, Rita |
| DOI |
10.5755/j01.ms.21.1.5460 |
| Full Text |
|
| Is Part of |
Materials science = Medžiagotyra.. Kaunas : KTU. 2015, vol. 21, no. 1, p. 111-116.. ISSN 1392-1320. eISSN 2029-7289 |
| Keywords [eng] |
Le Bail fitting ; gyrolite ; crystal structure ; XRD ; rietveld refinement ; global optimization |
| Abstract [eng] |
Pure calcium silicate hydrate – gyrolite was prepared under the saturated steam pressure at 473 K temperature in rotating autoclave. The crystal structure of synthetic gyrolite was investigated by X-ray diffraction and refined using Le Bail, Rietveld and crystal structure modelling methods. Background, peak shape parameters and verification of the space group P1 were performed by the Le Bail full pattern decomposition. Peculiarities of interlayer sheet X of gyrolite unit cell were highlighted by Rietveld refinement. Possible atomic arrangement in interlayer sheet X was solved by global optimization method. Most likelihood crystal structure model of gyrolite was calculated by final Rietveld refinement. It was crystallographically showed, that cell parameters are: a = 0.9713(2) nm, b = 0.9715(2) nm, c = 2.2442(3) nm and = 95.48(2)º, = 91.45(2)°, = l20.05(3)°. |
| Published |
Kaunas : KTU |
| Type |
Journal article |
| Language |
English |
| Publication date |
2015 |
| CC license |
|
