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Sökning: WFRF:(Pekov Igor) > (2020-2022)

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1.
  • Gorelova, Liudmila, et al. (författare)
  • Edge-sharing BO4 tetrahedra and penta-coordinated silicon in the high-pressure modification of NaBSi3O8
  • 2022
  • Ingår i: Inorganic Chemistry Frontiers. - : ROYAL SOC CHEMISTRY. - 2052-1545 .- 2052-1553. ; 9:8, s. 1735-1742
  • Tidskriftsartikel (refereegranskat)abstract
    • The high-pressure behavior of the borosilicate reedmergnerite NaBSi3O8 has been studied using in situ single-crystal X-ray diffraction and Raman spectroscopy up to 35 GPa. The crystal structure of NaBSi3O8 contracts homogeneously upon compression up to 12 GPa, while at higher pressures it undergoes two phase transitions. Above 16 GPa the unit-cell volume is doubled, whereas the coordination numbers of all cations and the structural topology are preserved. Above 25 GPa the crystal structure of NaBSi3O8 contains extremely rare dimers of edge-sharing BO4 tetrahedra and earlier unknown Si2O5 groups consisting of edge-sharing SiO5 square pyramids. The structural model was corroborated by DFT calculations. This HP modification results in the first example of a borosilicate compound with edge-sharing BO4 tetrahedra.
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2.
  • Zhitova, Elena S., et al. (författare)
  • Erssonite, CaMg7Fe23+(OH)(18)(SO4)(2)center dot 12H(2)O, a new hydrotalcite-supergroup mineral from Långban, Sweden
  • 2021
  • Ingår i: Mineralogical magazine. - : Mineralogical Society. - 0026-461X .- 1471-8022. ; 85:5, s. 817-826
  • Tidskriftsartikel (refereegranskat)abstract
    • The new wermlandite-group mineral erssonite, ideally CaMg7Fe23+(OH)(18)(SO4)(2)center dot 12H(2)O (or [Mg7Fe23+(OH)(18)][Ca(SO4)(2)].12H(2)O), was discovered in a late-stage, low-temperature assemblage in cavities of a magnetite-bearing dolomitic rock from the Langban deposit, Varmland county, Bergslagen ore province, Sweden. The associated minerals are dolomite, calcite, members of the magnetite-magnesioferrite solid-solution series, phlogopite, chrysotile, pyroaurite and norbergite. Erssonite has a vitreous lustre and forms colourless, platy hexagonal crystals flattened on [0001], up to 0.5 mm across and up to 10 mu m thick, occurring mainly as aggregates in cavities of dolomitic rock. Erssonite is malleable; separate crystals are flexible and non-elastic, with a perfect, mica-like cleavage on {0001}. The calculated density is equal to 2.02 g.cm(-3). Raman spectroscopy shows the presence of typical bands for S-O bonds attributed to intercalated SO42- anions and structural OH- anions together with the absence of C-O bonds, attributed to carbonate anions. The chemical composition is (wt.%, electron microprobe, H2O content is calculated from structure data): MgO 28.67, CaO 2.76, Al2O3 0.23, Cr2O3 0.23, Fe2O3 16.00, SiO2 0.48, SO3 14.80, H2O 35.58, total 98.75. The empirical formula based on 38 O atoms is H41.48Ca0.52Mg7.47Fe2.113+Al0.05Cr0.03S1.94Si0.08O38. The ideal formula is CaMg7Fe23+(OH)(18)(SO4)(2).12H(2)O or {Mg7Fe23+(OH)(18)}{[Ca(H2O)(6)] (SO4)(2)(H2O)(6)}. The crystal structure was determined using single-crystal X-ray diffraction data and refined to R = 0.093. Erssonite is trigonal, P (3) over bar c1, with a = 9.3550(6), c = 22.5462(14) angstrom, V = 1708.8(2) angstrom(3) and Z = 2. The strongest lines of the powder X-ray diffraction pattern [d, angstrom (I, %)(hkl)] are: 11.22 (90)(002), 5.63 (64)(004), 4.670 (100)(110, 104, 014), 2.626 (64)(032, 302), 2.435 (66)(034, 304) and 1.951 (45)(038, 308). The mineral is named in honour of the Swedish amateur mineralogist Dr. Anders Ersson (b. 1971).
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