On the monoclinic distortion of β-anhydrite CaSO4
β-anhydrite, the stable form of CaSO4, is a common mineral and a key phase in gypsum's dehydration mechanism. An in-depth multi-scale investigation of its structure by powder X-ray diffraction revealed a very slight distortion of the crystal cell at room temperature (β = 90.092(9) °), that led...
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| Vydáno v: | Solid state sciences Ročník 108; s. 106399 |
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Elsevier Masson SAS
01.10.2020
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| Abstract | β-anhydrite, the stable form of CaSO4, is a common mineral and a key phase in gypsum's dehydration mechanism. An in-depth multi-scale investigation of its structure by powder X-ray diffraction revealed a very slight distortion of the crystal cell at room temperature (β = 90.092(9) °), that led to rule out the commonly admitted orthorhombic model (space group Cmcm) in favor of monoclinic C2/c subgroup. According to high-temperature XRD, the structure resumes however the orthorhombic symmetry around 400 °C.
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•The first evidence of a lattice distortion in β-anhydrite.•A “pseudo tetragonal – pseudo orthorhombic” monoclinic symmetry.•A second-order phase transition is observed around 400 °C. |
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| AbstractList | β-anhydrite, the stable form of CaSO4, is a common mineral and a key phase in gypsum's dehydration mechanism. An in-depth multi-scale investigation of its structure by powder X-ray diffraction revealed a very slight distortion of the crystal cell at room temperature (β = 90.092(9) °), that led to rule out the commonly admitted orthorhombic model (space group Cmcm) in favor of monoclinic C2/c subgroup. According to high-temperature XRD, the structure resumes however the orthorhombic symmetry around 400 °C.
[Display omitted]
•The first evidence of a lattice distortion in β-anhydrite.•A “pseudo tetragonal – pseudo orthorhombic” monoclinic symmetry.•A second-order phase transition is observed around 400 °C. β-anhydrite, the stable form of CaSO4, is a common mineral and a key phase in gypsum's dehydration mechanism. An in-depth multi-scale investigation of its structure by powder X-ray diffraction revealed a very slight distortion of the crystal cell at room temperature (β = 90.092(9) °), that led to rule out the commonly admitted orthorhombic model (space group Cmcm) in favor of monoclinic C2/c subgroup. According to high-temperature XRD, the structure resumes however the orthorhombic symmetry around 400 °C. |
| ArticleNumber | 106399 |
| Author | Beaugnon, Florian Chevreux, Sylviane Wallez, Gilles Quiligotti, Sara |
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| Cites_doi | 10.1007/BF00308361 10.1154/1.3659285 10.1127/ejm/1/5/0721 10.1080/14786442608564042 10.1107/S0021889890008391 10.1002/1521-4079(200210)37:10<1075::AID-CRAT1075>3.0.CO;2-X 10.1007/BF00592322 10.1038/1841481a0 10.1006/jssc.1995.1260 10.1007/s00269-007-0186-2 10.1021/acs.iecr.9b00856 10.1180/minmag.2009.073.3.421 10.1111/j.1151-2916.1954.tb14027.x |
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| Keywords | Gypsum X-ray diffraction Rietveld method Anhydrite Crystal structure Phase transition crystal structure phase transition gypsum anhydrite |
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| Title | On the monoclinic distortion of β-anhydrite CaSO4 |
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