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Evolution of the bikitaite structure at high pressure : A single-crystal X-ray diffraction study. / Seryotkin, Yurii V.

In: Microporous and Mesoporous Materials, Vol. 226, 15.05.2016, p. 415-423.

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Seryotkin YV. Evolution of the bikitaite structure at high pressure: A single-crystal X-ray diffraction study. Microporous and Mesoporous Materials. 2016 May 15;226:415-423. doi: 10.1016/j.micromeso.2016.02.021

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@article{3f1a3cb31244424f9cce3b6234aacdef,
title = "Evolution of the bikitaite structure at high pressure: A single-crystal X-ray diffraction study",
abstract = "The structural evolution of natural bikitaite Li2(H2O)2[Al2Si4O12], compressed in penetrating (water-containing) medium up to 4 GPa, was studied using single-crystal X-ray diffraction data from a diamond-anvil cell. A nearly isotropic compression of bikitaite up to 1.2 GPa proceeds through a slight decrease of the framework T-O-T angles. Further pressurizing leads to anisotropic compression: The compressibility of b-axis is half as smaller compared to c-axis, and the a-axis is the least compressible. The structure can be described as hexagonal sheets of six-membered rings parallel to (001), connected by pyroxene-like chains. Upon the compression, the hexagonal sheets approach each other, leading to the shortening of the c-parameter. The deformation of hexagonal sheets, reinforced by O-Li bonds, is defined by the corrugation of 6-membered rings. The deformation of more flexible pyroxene chains, responding to the deformation of hexagonal sheets, consists of axial rotation of tetrahedra with only minor change in T-O-T angles. The arrangement of extraframework species changed slightly. The system of H-bonds between water molecules remains intact upon pressurizing. At the same time, the formation of new H-bonds with framework O-atoms becomes possible above 2 GPa due to the shortening of the distances between Ow positions and framework O-atoms. All pressure-induced structural changes are completely reversible and the recovered crystal structure returns to its ambient structure. The results clearly demonstrate the absence of pressure-induced hydration in the bikitaite structure. The pressure-induced changes in the unit cell metrics are similar for bikitaite compressed in water-containing medium, silicon oil, and glycerol.",
keywords = "Bikitaite, Compressibility, Crystal structure, High pressure, Single-crystal X-ray diffraction, Zeolite",
author = "Seryotkin, {Yurii V.}",
year = "2016",
month = may,
day = "15",
doi = "10.1016/j.micromeso.2016.02.021",
language = "English",
volume = "226",
pages = "415--423",
journal = "Microporous and Mesoporous Materials",
issn = "1387-1811",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Evolution of the bikitaite structure at high pressure

T2 - A single-crystal X-ray diffraction study

AU - Seryotkin, Yurii V.

PY - 2016/5/15

Y1 - 2016/5/15

N2 - The structural evolution of natural bikitaite Li2(H2O)2[Al2Si4O12], compressed in penetrating (water-containing) medium up to 4 GPa, was studied using single-crystal X-ray diffraction data from a diamond-anvil cell. A nearly isotropic compression of bikitaite up to 1.2 GPa proceeds through a slight decrease of the framework T-O-T angles. Further pressurizing leads to anisotropic compression: The compressibility of b-axis is half as smaller compared to c-axis, and the a-axis is the least compressible. The structure can be described as hexagonal sheets of six-membered rings parallel to (001), connected by pyroxene-like chains. Upon the compression, the hexagonal sheets approach each other, leading to the shortening of the c-parameter. The deformation of hexagonal sheets, reinforced by O-Li bonds, is defined by the corrugation of 6-membered rings. The deformation of more flexible pyroxene chains, responding to the deformation of hexagonal sheets, consists of axial rotation of tetrahedra with only minor change in T-O-T angles. The arrangement of extraframework species changed slightly. The system of H-bonds between water molecules remains intact upon pressurizing. At the same time, the formation of new H-bonds with framework O-atoms becomes possible above 2 GPa due to the shortening of the distances between Ow positions and framework O-atoms. All pressure-induced structural changes are completely reversible and the recovered crystal structure returns to its ambient structure. The results clearly demonstrate the absence of pressure-induced hydration in the bikitaite structure. The pressure-induced changes in the unit cell metrics are similar for bikitaite compressed in water-containing medium, silicon oil, and glycerol.

AB - The structural evolution of natural bikitaite Li2(H2O)2[Al2Si4O12], compressed in penetrating (water-containing) medium up to 4 GPa, was studied using single-crystal X-ray diffraction data from a diamond-anvil cell. A nearly isotropic compression of bikitaite up to 1.2 GPa proceeds through a slight decrease of the framework T-O-T angles. Further pressurizing leads to anisotropic compression: The compressibility of b-axis is half as smaller compared to c-axis, and the a-axis is the least compressible. The structure can be described as hexagonal sheets of six-membered rings parallel to (001), connected by pyroxene-like chains. Upon the compression, the hexagonal sheets approach each other, leading to the shortening of the c-parameter. The deformation of hexagonal sheets, reinforced by O-Li bonds, is defined by the corrugation of 6-membered rings. The deformation of more flexible pyroxene chains, responding to the deformation of hexagonal sheets, consists of axial rotation of tetrahedra with only minor change in T-O-T angles. The arrangement of extraframework species changed slightly. The system of H-bonds between water molecules remains intact upon pressurizing. At the same time, the formation of new H-bonds with framework O-atoms becomes possible above 2 GPa due to the shortening of the distances between Ow positions and framework O-atoms. All pressure-induced structural changes are completely reversible and the recovered crystal structure returns to its ambient structure. The results clearly demonstrate the absence of pressure-induced hydration in the bikitaite structure. The pressure-induced changes in the unit cell metrics are similar for bikitaite compressed in water-containing medium, silicon oil, and glycerol.

KW - Bikitaite

KW - Compressibility

KW - Crystal structure

KW - High pressure

KW - Single-crystal X-ray diffraction

KW - Zeolite

UR - http://www.scopus.com/inward/record.url?scp=84959421851&partnerID=8YFLogxK

U2 - 10.1016/j.micromeso.2016.02.021

DO - 10.1016/j.micromeso.2016.02.021

M3 - Article

AN - SCOPUS:84959421851

VL - 226

SP - 415

EP - 423

JO - Microporous and Mesoporous Materials

JF - Microporous and Mesoporous Materials

SN - 1387-1811

ER -

ID: 25761128