Robertson, Kevin, Bish, David (2010) Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method. Acta Crystallographica Section B Structural Science, 66 (6) 579-584 doi:10.1107/s0108768110039686
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method | ||
| Journal | Acta Crystallographica Section B Structural Science | ||
| Authors | Robertson, Kevin | Author | |
| Bish, David | Author | ||
| Year | 2010 (December 1) | Volume | 66 |
| Issue | 6 | ||
| Publisher | International Union of Crystallography (IUCr) | ||
| DOI | doi:10.1107/s0108768110039686Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 187470 | Long-form Identifier | mindat:1:5:187470:3 |
| GUID | 0 | ||
| Full Reference | Robertson, Kevin, Bish, David (2010) Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method. Acta Crystallographica Section B Structural Science, 66 (6) 579-584 doi:10.1107/s0108768110039686 | ||
| Plain Text | Robertson, Kevin, Bish, David (2010) Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method. Acta Crystallographica Section B Structural Science, 66 (6) 579-584 doi:10.1107/s0108768110039686 | ||
| In | (2010, December) Acta Crystallographica Section B Structural Science Vol. 66 (6) International Union of Crystallography (IUCr) | ||
| Abstract/Notes | X-ray powder diffraction (XRD) data were used to solve the crystal structures of phases in the magnesium perchlorate hydrate system, Mg(ClO4)2·nH2O (n = 4, 2). A heating stage and humidity generator interfaced to an environmental cell enabled in-situ XRD analyses of dehydration reactions under controlled temperatures and partial pressures of H2O (P_{{\rm H}_2{\rm O}}). The crystal structures were determined using an ab initio charge-flipping method and were refined using fundamental-parameter Rietveld methods. Dehydration of magnesium perchlorate hexahydrate to tetrahydrate (348 K) results in a decrease in symmetry (space group = C2), where isolated Mg2+ cations are equatorially coordinated by four H2O molecules with two [ClO4]− tetrahedra at the apices. Further dehydration to the dihydrate (423 K) leads to bridging of the isolated packets to form double corner-sharing chains of octahedra and polyhedra (space group = C2/m). | ||
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