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Determination of the crystal structure of sanderite, MgSO (sub 4) .2H (sub 2) O, by X-ray powder diffraction and the charge flipping method

Hongwei Ma, David L. Bish, Hsiu-Wen Wang and Steve J. Chipera
Determination of the crystal structure of sanderite, MgSO (sub 4) .2H (sub 2) O, by X-ray powder diffraction and the charge flipping method
American Mineralogist (April 2009) 94 (4): 622-625

Abstract

The crystal structure of sanderite, MgSO (sub 4) .2H (sub 2) O, was determined from laboratory X-ray powder diffraction data measured from 2-140 degrees 2theta using CuKalpha radiation. Sanderite is orthorhombic, space group P2 (sub 1) 2 (sub 1) 2 (sub 1) , with unit-cell parameters a=8.8932(1) Aa, b=8.4881(1) Aa, c=12.4401(2) Aa, V=939.16(3) Aa (super 3) , Z=8. The crystal structure model was determined using the charge flipping method and was refined using fundamental parameters Rietveld refinement method to R (sub wp) =6.52%, R (sub exp) =1.89%, and chi (super 2) =3.43. Bond-valence calculations for the refined model show that the structure is chemically reasonable. In the refined structure, Mg (super 2+) cations are coordinated by four O atoms from [SO (sub 4) ] (super 2-) groups tetrahedra and by two H (sub 2) O molecules, forming distorted octahedra. By sharing vertex O atoms, [SO (sub 4) ] and [MgO (sub 4) (H (sub 2) O) (sub 2) ] octahedra build up a 3-D framework.


ISSN: 0003-004X
EISSN: 1945-3027
Coden: AMMIAY
Serial Title: American Mineralogist
Serial Volume: 94
Serial Issue: 4
Title: Determination of the crystal structure of sanderite, MgSO (sub 4) .2H (sub 2) O, by X-ray powder diffraction and the charge flipping method
Affiliation: Indiana University, Department of Geological Sciences, Bloomington, IN, United States
Pages: 622-625
Published: 200904
Text Language: English
Publisher: Mineralogical Society of America, Washington, DC, United States
References: 32
Accession Number: 2009-042460
Categories: Mineralogy of non-silicates
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 1 table
Secondary Affiliation: Chesapeake Energy Corporation, USA, United States
Country of Publication: United States
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute. Abstract, copyright, Mineralogical Society of America. Reference includes data from GeoScienceWorld, Alexandria, VA, United States
Update Code: 200923
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