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Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): Confirmation of expected variations within the SO4 groups
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Sytle M. Antao
Veröffentlicht/Copyright:
2. April 2015
Abstract
The crystal structures of the isostructural orthorhombic sulfates celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4) were refined by Rietveld methods using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data. Their structural model was refined in space group Pbnm. The unit-cell parameters are a = 6.87032(3), b = 8.36030(5), c = 5.34732(1) Å, and V = 307.139(3) Å3 for SrSO4; a = 6.95802(1), b = 8.48024(3), c = 5.39754(1) Å, and V = 318.486(1) Å3 for PbSO4; and a = 7.15505(1), b = 8.88101(3), c = 5.45447(1) Å, and V = 346.599(1) Å3 for BaSO4. The average <M-O> [12] distances are 2.827(1), 2.865(1), and 2.953(1) Å for SrSO4, PbSO4, and BaSO4, respectively, and their corresponding average <S-O> [4] distances are 1.480(1), 1.477(3), and 1.471(1) Å. The geometrical features of the SO4 and MO12 polyhedra become more symmetrical from SrSO4 to BaSO4. Across the series, the a, b, and c parameters vary non-linearly with increasing V. The radii of the M2+ cations, rM, <M-O> [12], and <S-O> [4] distances vary linearly with V. These structural trends arise from the effective size of the M2+ cation (rM: Sr < Pb < Ba) that is coordinated to 12 O atoms.
Keywords: Celestite; SrSO4; anglesite; PbSO4; barite; BaSO4; Rietveld refinement; synchrotron high-resolution powder X-ray diffraction (HRPXRD); crystal structure
Received: 2011-6-4
Accepted: 2011-11-29
Published Online: 2015-4-2
Published in Print: 2012-4-1
© 2015 by Walter de Gruyter Berlin/Boston
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Schlagwörter für diesen Artikel
Celestite;
SrSO4;
anglesite;
PbSO4;
barite;
BaSO4;
Rietveld refinement;
synchrotron high-resolution powder X-ray diffraction (HRPXRD);
crystal structure
Artikel in diesem Heft
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- Falsterite, Ca2MgMn2+2 (Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire
- Pavlovskyite Ca8(SiO4)2(Si3O10): A new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus
- Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype from El Soplao cave (Cantabria, Spain)
- Incorporation of Si into TiO2 phases at high pressure
- TOF-SIMS and electron microprobe investigations of zoned magmatic orthopyroxenes: First results of trace and minor element analysis with implications for diffusion modeling
- Titanium in muscovite, biotite, and hornblende: Modeling, thermometry, and rutile activities of metapelites and amphibolites
- Polysaccharide-catalyzed nucleation and growth of disordered dolomite: A potential precursor of sedimentary dolomite
- High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure
- Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
- Vibrational and elastic properties of ferromagnesite across the electronic spin-pairing transition of iron
- Electronic spin states of ferric and ferrous iron in the lower-mantle silicate perovskite
- Experimental VNIR reflectance spectroscopy of gypsum dehydration: Investigating the gypsum to bassanite transition
- Nature of rehydroxylation in dioctahedral 2:1 layer clay minerals
- Thermal behavior of afghanite, an ABABACAC member of the cancrinite group
- Experimental incorporation of Th into xenotime at middle to lower crustal P-T utilizing alkali-bearing fluids
- Sol-gel synthesis of nanocrystalline fayalite (Fe2SiO4)
- The heat capacity of fayalite at high temperatures
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- The dehydroxylation of serpentine group minerals
- Formation of nanoscale Th-coffinite
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