Redetermination of ruizite,Ca2Mn3+2[Si4O11(OH)2](OH)2.2H2O

Kim V. Fendrich; Robert T. Downs; Marcus J. Origlieri

doi:10.1107/S2056989016009129

Redetermination of ruizite,Ca₂Mn³⁺₂[Si₄O₁₁(OH)₂](OH)₂.₂H₂O

Kim V. Fendrich, Robert T. Downs, Marcus J. Origlieri

Geosciences

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

4 Scopus citations

Abstract

The crystal structure of ruizite, ideally Ca₂Mn³⁺₂[Si₄O₁₁(OH)₂](OH)₂.₂H₂O [dicalcium dimanganese(III) tetrasilicate tetrahydroxide dihydrate] was first determined in space group A2 with an isotropic displacement parameter model (R = 5.6%) [Hawthorne (1984). Tschermaks Mineral. Petrogr. Mitt. 33, 135-146]. A subsequent refinement in space group C2/m with anisotropic displacement parameters for non-H atoms converged with R = 8.4% [Moore et al. (1985). Am. Mineral. 70, 171-181]. The current study reports a redetermination of the ruizite structure by means of single-crystal X-ray diffraction data of a natural sample from the Wessels mine, Kalahari Manganese Field, Northern Cape Province, South Africa. Our data (R1 = 3.0%) confirm that the space group of ruizite is that of the first study rather than C2/m. This work improves upon the structure reported by Hawthorne (1984) in that all non-H atoms were refined with anisotropic displacement parameters and all hydrogen atoms were located. The crystal structure consists of [010] chains of edge-sharing MnO6 octahedra flanked by finite [Si₄O₁₁(OH)₂] chains. The Ca²⁺ cations are situated in the cavities of this arrangement and exhibit a coordination number of seven.

Original language	English (US)
Pages (from-to)	959-963
Number of pages	5
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	72
DOIs	https://doi.org/10.1107/S2056989016009129
State	Published - 2016

Keywords

Crystal structure
Finite silicate chain
Redetermination
Ruizite

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Access to Document

10.1107/S2056989016009129

Cite this

@article{b5ae0fa3da7a4cd385ea9627331cfc93,

title = "Redetermination of ruizite,Ca2Mn3+2[Si4O11(OH)2](OH)2.2H2O",

abstract = "The crystal structure of ruizite, ideally Ca2Mn3+2[Si4O11(OH)2](OH)2.2H2O [dicalcium dimanganese(III) tetrasilicate tetrahydroxide dihydrate] was first determined in space group A2 with an isotropic displacement parameter model (R = 5.6%) [Hawthorne (1984). Tschermaks Mineral. Petrogr. Mitt. 33, 135-146]. A subsequent refinement in space group C2/m with anisotropic displacement parameters for non-H atoms converged with R = 8.4% [Moore et al. (1985). Am. Mineral. 70, 171-181]. The current study reports a redetermination of the ruizite structure by means of single-crystal X-ray diffraction data of a natural sample from the Wessels mine, Kalahari Manganese Field, Northern Cape Province, South Africa. Our data (R1 = 3.0%) confirm that the space group of ruizite is that of the first study rather than C2/m. This work improves upon the structure reported by Hawthorne (1984) in that all non-H atoms were refined with anisotropic displacement parameters and all hydrogen atoms were located. The crystal structure consists of [010] chains of edge-sharing MnO6 octahedra flanked by finite [Si4O11(OH)2] chains. The Ca2+ cations are situated in the cavities of this arrangement and exhibit a coordination number of seven.",

keywords = "Crystal structure, Finite silicate chain, Redetermination, Ruizite",

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

note = "Funding Information: The authors gratefully acknowledge support of this study from the Arizona Science Foundation and NASA NNX11AP82A, Mars Science Laboratory Investigations. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Aeronautics and Space Administration.",

year = "2016",

doi = "10.1107/S2056989016009129",

language = "English (US)",

volume = "72",

pages = "959--963",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

issn = "2056-9890",

publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - Redetermination of ruizite,Ca2Mn3+2[Si4O11(OH)2](OH)2.2H2O

AU - Fendrich, Kim V.

AU - Downs, Robert T.

AU - Origlieri, Marcus J.

N1 - Funding Information: The authors gratefully acknowledge support of this study from the Arizona Science Foundation and NASA NNX11AP82A, Mars Science Laboratory Investigations. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Aeronautics and Space Administration.

PY - 2016

Y1 - 2016

N2 - The crystal structure of ruizite, ideally Ca2Mn3+2[Si4O11(OH)2](OH)2.2H2O [dicalcium dimanganese(III) tetrasilicate tetrahydroxide dihydrate] was first determined in space group A2 with an isotropic displacement parameter model (R = 5.6%) [Hawthorne (1984). Tschermaks Mineral. Petrogr. Mitt. 33, 135-146]. A subsequent refinement in space group C2/m with anisotropic displacement parameters for non-H atoms converged with R = 8.4% [Moore et al. (1985). Am. Mineral. 70, 171-181]. The current study reports a redetermination of the ruizite structure by means of single-crystal X-ray diffraction data of a natural sample from the Wessels mine, Kalahari Manganese Field, Northern Cape Province, South Africa. Our data (R1 = 3.0%) confirm that the space group of ruizite is that of the first study rather than C2/m. This work improves upon the structure reported by Hawthorne (1984) in that all non-H atoms were refined with anisotropic displacement parameters and all hydrogen atoms were located. The crystal structure consists of [010] chains of edge-sharing MnO6 octahedra flanked by finite [Si4O11(OH)2] chains. The Ca2+ cations are situated in the cavities of this arrangement and exhibit a coordination number of seven.

AB - The crystal structure of ruizite, ideally Ca2Mn3+2[Si4O11(OH)2](OH)2.2H2O [dicalcium dimanganese(III) tetrasilicate tetrahydroxide dihydrate] was first determined in space group A2 with an isotropic displacement parameter model (R = 5.6%) [Hawthorne (1984). Tschermaks Mineral. Petrogr. Mitt. 33, 135-146]. A subsequent refinement in space group C2/m with anisotropic displacement parameters for non-H atoms converged with R = 8.4% [Moore et al. (1985). Am. Mineral. 70, 171-181]. The current study reports a redetermination of the ruizite structure by means of single-crystal X-ray diffraction data of a natural sample from the Wessels mine, Kalahari Manganese Field, Northern Cape Province, South Africa. Our data (R1 = 3.0%) confirm that the space group of ruizite is that of the first study rather than C2/m. This work improves upon the structure reported by Hawthorne (1984) in that all non-H atoms were refined with anisotropic displacement parameters and all hydrogen atoms were located. The crystal structure consists of [010] chains of edge-sharing MnO6 octahedra flanked by finite [Si4O11(OH)2] chains. The Ca2+ cations are situated in the cavities of this arrangement and exhibit a coordination number of seven.

KW - Crystal structure

KW - Finite silicate chain

KW - Redetermination

KW - Ruizite

UR - http://www.scopus.com/inward/record.url?scp=84983731379&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84983731379&partnerID=8YFLogxK

U2 - 10.1107/S2056989016009129

DO - 10.1107/S2056989016009129

M3 - Article

AN - SCOPUS:84983731379

SN - 2056-9890

VL - 72

SP - 959

EP - 963

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

ER -