Schaurteite, Ca3Ge(SO4)2(OH) 6·3H2O

Marcus J. Origlieri; Robert T. Downs

doi:10.1107/S1600536812050945

Schaurteite, Ca₃Ge(SO₄)₂(OH) 6·3H₂O

Marcus J. Origlieri, Robert T. Downs

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

5 Scopus citations

Abstract

This report presents the first crystal structure determination of the mineral schaurteite, ideally Ca3Ge(SO₄)2(OH)6·3H₂O, tricalcium germanium bis(sulfate) hexahydroxide trihydrate. This single-crystal X-ray diffraction study investigated a natural sample from the type locality at Tsumeb, Namibia. Schaurteite is a member of the fleischerite group of minerals, which also includes fleischerite, despujolsite, and mallestigite. The structure of schaurteite consists of slabs of Ca(O,OH,H₂O)8 polyhedra (site symmetry mm2) interleaved with a mixed layer of Ge(OH)6 octahedra (-3m.) and SO₄ tetrahedra (3m.). There are two H atoms in the asymmetric unit, both located by full-matrix refinement, and both forming O - H⋯O hydrogen bonds.

Original language	English (US)
Pages (from-to)	i6
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	69
Issue number	2
DOIs	https://doi.org/10.1107/S1600536812050945
State	Published - Feb 2013
Externally published	Yes

Keywords

R factor = 0.022
T = 296 K
data-to-parameter ratio = 15.3
mean σ(S-O) = 0.002 Å
single-crystal X-ray study
wR factor = 0.045

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Access to Document

10.1107/S1600536812050945

Cite this

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title = "Schaurteite, Ca3Ge(SO4)2(OH) 6·3H2O",

abstract = "This report presents the first crystal structure determination of the mineral schaurteite, ideally Ca3Ge(SO4)2(OH)6·3H2O, tricalcium germanium bis(sulfate) hexahydroxide trihydrate. This single-crystal X-ray diffraction study investigated a natural sample from the type locality at Tsumeb, Namibia. Schaurteite is a member of the fleischerite group of minerals, which also includes fleischerite, despujolsite, and mallestigite. The structure of schaurteite consists of slabs of Ca(O,OH,H2O)8 polyhedra (site symmetry mm2) interleaved with a mixed layer of Ge(OH)6 octahedra (-3m.) and SO4 tetrahedra (3m.). There are two H atoms in the asymmetric unit, both located by full-matrix refinement, and both forming O - H⋯O hydrogen bonds.",

keywords = "R factor = 0.022, T = 296 K, data-to-parameter ratio = 15.3, mean σ(S-O) = 0.002 {\AA}, single-crystal X-ray study, wR factor = 0.045",

author = "Origlieri, {Marcus J.} and Downs, {Robert T.}",

year = "2013",

month = feb,

doi = "10.1107/S1600536812050945",

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journal = "Acta Crystallographica Section E: Structure Reports Online",

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AU - Origlieri, Marcus J.

AU - Downs, Robert T.

PY - 2013/2

Y1 - 2013/2

N2 - This report presents the first crystal structure determination of the mineral schaurteite, ideally Ca3Ge(SO4)2(OH)6·3H2O, tricalcium germanium bis(sulfate) hexahydroxide trihydrate. This single-crystal X-ray diffraction study investigated a natural sample from the type locality at Tsumeb, Namibia. Schaurteite is a member of the fleischerite group of minerals, which also includes fleischerite, despujolsite, and mallestigite. The structure of schaurteite consists of slabs of Ca(O,OH,H2O)8 polyhedra (site symmetry mm2) interleaved with a mixed layer of Ge(OH)6 octahedra (-3m.) and SO4 tetrahedra (3m.). There are two H atoms in the asymmetric unit, both located by full-matrix refinement, and both forming O - H⋯O hydrogen bonds.

AB - This report presents the first crystal structure determination of the mineral schaurteite, ideally Ca3Ge(SO4)2(OH)6·3H2O, tricalcium germanium bis(sulfate) hexahydroxide trihydrate. This single-crystal X-ray diffraction study investigated a natural sample from the type locality at Tsumeb, Namibia. Schaurteite is a member of the fleischerite group of minerals, which also includes fleischerite, despujolsite, and mallestigite. The structure of schaurteite consists of slabs of Ca(O,OH,H2O)8 polyhedra (site symmetry mm2) interleaved with a mixed layer of Ge(OH)6 octahedra (-3m.) and SO4 tetrahedra (3m.). There are two H atoms in the asymmetric unit, both located by full-matrix refinement, and both forming O - H⋯O hydrogen bonds.

KW - R factor = 0.022

KW - T = 296 K

KW - data-to-parameter ratio = 15.3

KW - mean σ(S-O) = 0.002 Å

KW - single-crystal X-ray study

KW - wR factor = 0.045

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