Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3

Maslen, E. N.; Streltsov, V.A.; Streltsova, N.R.; Ishizawa, Nobuo

doi:10.1107/s0108768195006434

Cited by 172 publications

(126 citation statements)

References 10 publications

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“…The two carbonate phases involved, rhodochrosite (MnC03) and calcite (the stable CaC03 phase at 25" and 1 atm. ), are isomorphic, with the following lattice constants: ahex=4.988A, chex=17.068A for calcite and ahex=4.772 A, chex=15.637 A for rhodochrosite [11]. These compounds form a solid solution crystallizing in the trigonal space group R3c.…”

Section: Uniovies (M Prieto)mentioning

confidence: 99%

In situ AFM study of the interaction between calcite {101¯4} surfaces and supersaturated Mn2+–CO32− aqueous solutions

Pérez-Garrido

Astilleros

Fernández-Dı́az

et al. 2009

Journal of Crystal Growth

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Section: Uniovies (M Prieto)mentioning

confidence: 99%

In situ AFM study of the interaction between calcite {101¯4} surfaces and supersaturated Mn2+–CO32− aqueous solutions

Pérez-Garrido

Astilleros

Fernández-Dı́az

et al. 2009

Journal of Crystal Growth

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“…It has been shown that predicted morphologies can be sensitive to the charge separation within a polyatomic anion (Hartman & Strom, 1989). Experimental evidence based on charge distributions determined from very accurate X-ray diffraction data, such as the work of Maslen et al (1995) on inorganic systems, shows that formal charges certainly are too large. In the present work, we employed charges computed by ®tting to the electrostatic potential map derived from abinitio wave functions.…”

Section: Computationsmentioning

confidence: 99%

Crystal morphology prediction and morphology variation in NaIO₄ and NaIO₄.3H₂O

Soltzberg

Madden

1999

Acta Crystallogr Sect B

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Attachment energies computed with only Coulomb potentials have been utilized to predict crystal morphologies for NaIO 4 , sodium iodate, and the hydrate NaIO 4 .3H 2 O, sodium iodate trihydrate [actually Na(H 3 O)(IO 3 )(OH) 3 ]. As with other previously studied water-soluble ionic compounds, these two systems exhibit a systematic relationship between the early growth morphology and that of mature crystals; this relationship can in each case be reproduced by adjusting one attachment energy value. Morphology prediction for these two substances is of particular interest because NaIO 4 .3H 2 O is a polar crystal and involves extensive hydrogen bonding, and because obtaining the observed morphology for NaIO 4 involved consideration of solvent desorption at the growing faces.

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“…The texture indices for molybdite and calcite are 1.10 and 1.034, respectively. The powders were considered to be excellent for this study because ͑i͒ the platy crystallite shapes of molybdite ͑Calvert et al, 1983;Sitepu, , 1998 and calcite are consistent with the requirement for the March model that crystallites should be either disk-like or rod-like and ͑ii͒ high-quality crystal structures ͑Kihlborg, 1963; Maslen et al, 1995͒ have been reported. The other requirement for the March model is that the PO correction factor describing the orientation of crystallites is axially symmetric.…”

Section: ͑11͒mentioning

confidence: 99%

Texture and structural refinement using neutron diffraction data from molybdite (MoO₃) and calcite (CaCO₃) powders and a Ni-rich Ni_50.7Ti_49.30alloy

Sitepu

2009

Powder Diffr.

103

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Preferred orientation or texture is a common feature of experimental powder patterns. The mathematics of two commonly used models for preferred orientation-the March-Dollase and the generalized spherical-harmonic models-is reviewed. Both models were applied individually to neutron powder data from uniaxially pressed molybdite ͑MoO 3 ͒ and calcite ͑CaCO 3 ͒ powders in Rietveld analyses, as well as the as-received powders. The structural refinement results are compared to single-crystal structures. The results indicate that reasonable refinement of crystal structures can be obtained using either the March model or generalized spherical-harmonic description. However, the generalized spherical-harmonic description provided better Rietveld fits than the March model for the molybdite and calcite. Therefore, the generalized spherical-harmonic description is recommended for correction of preferred orientation in neutron diffraction analysis for both crystal structure refinement and phase composition analysis. Subsequently, the generalized spherical-harmonic description is extended to crystal structure refinement of annealed and the aged polycrystalline Ni-rich Ni 50.7 Ti 49.30 shape memory alloys. © 2009 International Centre for Diffraction Data.

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Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO₃, MgCO₃ and MnCO₃

Cited by 172 publications

References 10 publications

In situ AFM study of the interaction between calcite {101¯4} surfaces and supersaturated Mn2+–CO32− aqueous solutions

In situ AFM study of the interaction between calcite {101¯4} surfaces and supersaturated Mn2+–CO32− aqueous solutions

Crystal morphology prediction and morphology variation in NaIO₄ and NaIO₄.3H₂O

Texture and structural refinement using neutron diffraction data from molybdite (MoO₃) and calcite (CaCO₃) powders and a Ni-rich Ni_50.7Ti_49.30alloy

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Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3

Cited by 172 publications

References 10 publications

In situ AFM study of the interaction between calcite {101¯4} surfaces and supersaturated Mn2+–CO32− aqueous solutions

In situ AFM study of the interaction between calcite {101¯4} surfaces and supersaturated Mn2+–CO32− aqueous solutions

Crystal morphology prediction and morphology variation in NaIO4 and NaIO4.3H2O

Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30alloy

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Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO₃, MgCO₃ and MnCO₃

Crystal morphology prediction and morphology variation in NaIO₄ and NaIO₄.3H₂O

Texture and structural refinement using neutron diffraction data from molybdite (MoO₃) and calcite (CaCO₃) powders and a Ni-rich Ni_50.7Ti_49.30alloy