The crystal structure and hydrogen bonding of synthetic konyaite, Na 2Mg(SO4)2·5H2O

Evelyne M.S. Leduc; Ronald C. Peterson; Ruiyao Wang

doi:10.2138/am.2009.3132

The crystal structure and hydrogen bonding of synthetic konyaite, Na ₂Mg(SO₄)₂·5H₂O

Evelyne M.S. Leduc, Ronald C. Peterson, Ruiyao Wang

Queen's University Kingston

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

Abstract

The crystal structure of synthetic konyaite, Na₂Mg(SO ₄)₂·5H₂O, a = 5.7690(8), b = 23.951(3), c = 8.0460(11) Å, β = 95.425(2)°, V = 1106.8(3) Å³, space group P2₁/c, Z = 4, was solved using single-crystal X-ray diffraction. Hydrogen atom positions were determined and the structure solution was refined to R₁ = 3.31% and wR₂ = 6.28% for the 2167 measured independent reflections. Three distinct cation sites host the Mg and Na atoms in distorted octahedra and eight-coordinated polyhedra. The coordination polyhedra share edges to form compact sheets oriented perpendicular to b and linked to one another by hydrogen bonds. This results in a {010} tabular habit. A comparison of this structure is made to that of blödite [Na₂Mg(SO₄)₂·4H ₂O], the dehydration product of konyaite. Konyaite is discussed within the context of the Na₂O-MgO-SO₄-H₂O system. This study is part of ongoing investigations into the dehydration mechanisms and phase stability of this system.

Original language	English
Pages (from-to)	1005-1011
Number of pages	7
Journal	American Mineralogist
Volume	94
Issue number	7
DOIs	https://doi.org/10.2138/am.2009.3132
Publication status	Published - Jul 2009
Externally published	Yes

Keywords

Blödite
Crystal structure
Dehydration
Hydrogen bonding
Konyaite
Phase stability
Single-crystal X-ray diffraction

Access to Document

10.2138/am.2009.3132

Cite this

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title = "The crystal structure and hydrogen bonding of synthetic konyaite, Na 2Mg(SO4)2·5H2O",

abstract = "The crystal structure of synthetic konyaite, Na2Mg(SO 4)2·5H2O, a = 5.7690(8), b = 23.951(3), c = 8.0460(11) {\AA}, β = 95.425(2)°, V = 1106.8(3) {\AA}3, space group P21/c, Z = 4, was solved using single-crystal X-ray diffraction. Hydrogen atom positions were determined and the structure solution was refined to R1 = 3.31% and wR2 = 6.28% for the 2167 measured independent reflections. Three distinct cation sites host the Mg and Na atoms in distorted octahedra and eight-coordinated polyhedra. The coordination polyhedra share edges to form compact sheets oriented perpendicular to b and linked to one another by hydrogen bonds. This results in a {010} tabular habit. A comparison of this structure is made to that of bl{\"o}dite [Na2Mg(SO4)2·4H 2O], the dehydration product of konyaite. Konyaite is discussed within the context of the Na2O-MgO-SO4-H2O system. This study is part of ongoing investigations into the dehydration mechanisms and phase stability of this system.",

keywords = "Bl{\"o}dite, Crystal structure, Dehydration, Hydrogen bonding, Konyaite, Phase stability, Single-crystal X-ray diffraction",

author = "Leduc, {Evelyne M.S.} and Peterson, {Ronald C.} and Ruiyao Wang",

year = "2009",

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AU - Leduc, Evelyne M.S.

AU - Peterson, Ronald C.

AU - Wang, Ruiyao

PY - 2009/7

Y1 - 2009/7

N2 - The crystal structure of synthetic konyaite, Na2Mg(SO 4)2·5H2O, a = 5.7690(8), b = 23.951(3), c = 8.0460(11) Å, β = 95.425(2)°, V = 1106.8(3) Å3, space group P21/c, Z = 4, was solved using single-crystal X-ray diffraction. Hydrogen atom positions were determined and the structure solution was refined to R1 = 3.31% and wR2 = 6.28% for the 2167 measured independent reflections. Three distinct cation sites host the Mg and Na atoms in distorted octahedra and eight-coordinated polyhedra. The coordination polyhedra share edges to form compact sheets oriented perpendicular to b and linked to one another by hydrogen bonds. This results in a {010} tabular habit. A comparison of this structure is made to that of blödite [Na2Mg(SO4)2·4H 2O], the dehydration product of konyaite. Konyaite is discussed within the context of the Na2O-MgO-SO4-H2O system. This study is part of ongoing investigations into the dehydration mechanisms and phase stability of this system.

AB - The crystal structure of synthetic konyaite, Na2Mg(SO 4)2·5H2O, a = 5.7690(8), b = 23.951(3), c = 8.0460(11) Å, β = 95.425(2)°, V = 1106.8(3) Å3, space group P21/c, Z = 4, was solved using single-crystal X-ray diffraction. Hydrogen atom positions were determined and the structure solution was refined to R1 = 3.31% and wR2 = 6.28% for the 2167 measured independent reflections. Three distinct cation sites host the Mg and Na atoms in distorted octahedra and eight-coordinated polyhedra. The coordination polyhedra share edges to form compact sheets oriented perpendicular to b and linked to one another by hydrogen bonds. This results in a {010} tabular habit. A comparison of this structure is made to that of blödite [Na2Mg(SO4)2·4H 2O], the dehydration product of konyaite. Konyaite is discussed within the context of the Na2O-MgO-SO4-H2O system. This study is part of ongoing investigations into the dehydration mechanisms and phase stability of this system.

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