In:
Zeitschrift für Kristallographie - Crystalline Materials, Walter de Gruyter GmbH, Vol. 234, No. 5 ( 2019-05-27), p. 351-361
Abstract:
Powder samples of the intermediate phase between sodalite and cancrinite (INT) have been synthesized hydrothermally. The formation of the INT phase was proved by both PXRD and TGA analysis and its stoichiometric composition was found to be |Na 6.95(1) (CO 3 ) 0.48(2) (H 2 O) 6.18(6) |[AlSiO 4 ] 6 . The comparison of the intensity ratios of PXRD data with a SCXRD measurement indicates the formation of a comparable phase with the typical strong stacking disorder. The hexagonal lattice parameters with a =1266.3(2) pm and c =1586(1) pm and the unit cell setting were determined by Pawley fits. The average lattice and the stacking disorder along c axis could be confirmed by the reconstruction of three-dimensional ADT data. The average structure of INT was modeled considering only the combination of naturally existing (zeolitic) cages, restricted by the actual number of layers per unit cell. The possible combinations were further reduced by considering the amount of incorporated species. Through the comparison of simulated electron diffraction pattern to measured data the modeled framework could be confirmed. Using relative positions of the incorporated species in the natural cages as well as electron densities calculated by using only the framework of INT the positions of these species could be described.
Type of Medium:
Online Resource
ISSN:
2196-7105
,
2194-4946
DOI:
10.1515/zkri-2018-2114
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
2019
SSG:
13
