The crystal structure of tricalcium silicate

Jeffery, J. W.

doi:10.1107/s0365110x52000083

Cited by 129 publications

(66 citation statements)

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“…It crystallizes in several polymorphic modifications, of triclinic, monoclinic, orthorhombic and hexagonal symmetry (Regourd 1964). Three polymorphs are strongly pseudo-rhombohedral, with hexagonal axes of a 7.0, c 25.0 Å (Jeffery 1952). The pseudo-structure with R3m symmetry corresponds quite well with the triplet Na sulfate and (Na,Ca) phosphate structures.…”

Section: Possible Silicate Analoguesmentioning

confidence: 63%

The Crystal Chemistry of the [M3 11 14] Trimeric Structures: From Hyperagpaitic Complexes to Saline Lakes

Sokolova

Hawthorne

2001

The Canadian Mineralogist

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.94(1)°, V 778.54(7) Å 3 , from the Khibina-Lovozero alkaline complex, Kola Peninsula, Russia, have been solved by direct methods for the holotype single crystals in the space groups P1 (Z = 4) and P1 (Z = 1) and refined to residual R values of 5.6 and 3.1%, respectively, using 2293 and 7303 observed (| F o | > 4F) reflections collected with a single-crystal diffractometer fitted with a CCD detector and MoK␣ X-radiation. Nacaphite is twinned; this twinning of the true nacaphite unitcell emulates the C-centered unit-cell previously described for nacaphite. The chemical formulae of both minerals have been slightly revised. There is a close relation between the structures of nacaphite and quadruphite. The main fragment of the nacaphite structure is a cluster of three octahedra with a common F-F edge. These trimeric clusters link to form chains extending along [100] that are connected into a framework by (PO 4 ) tetrahedra. The structure of quadruphite consists of two structural blocks (TS and AC) stacked along [001]. The Ti silicate (TS) block has a three-layered structure consisting of a central sheet of octahedra and two adjacent Ti-Si sheets. The AC block of alkali cations can be described in terms of nacaphite-like trimeric clusters; as in nacaphite, these trimeric clusters link along [100] to form an infinite chain. Trimeric clusters of the form [M 11-14 ], M = Na, Ca; : O, OH, F, Cl, are common in a group of alkali sulfates, phosphates (and silicates), occurring in sulphohalite, Na 6 (SO 4 ) 2 F Cl, galeite, Na 15 (SO 4 ) 5 F 4 Cl, schairerite, Na 21 (SO 4 ) 7 F 6 Cl, kogarkoite, Na 3 (SO 4 ) F, the synthetic compound (Na 2 Ca) (PO 4 ) F (a dimorph of nacaphite), arctite, (Na 5 Ca) Ca 6 Ba (PO 4 ) 6 La nacaphite est maclée; ces macles de la vrai maille simulent une maille à C centré, attribuée antérieurement à la nacaphite. Les formules chimiques des deux minéraux ont été légèrement corrigées. Une relation étroite existe entre les deux structures. Le fragment principal de la structure de la nacaphite est un groupement de trois octaèdres partageant une arête F-F commune. Ces groupements trimériques sont rattachés en chaînes le long de [100], à leur tour rattachées par des tétraèdres (PO 4 ) pour former une trame. La structure de la quadruphite contient deux blocs structuraux (TS et AC) empilés le long de [001]. Le bloc à silicate de Ti (TS) possède une structure à trois niveaux contenant un feuillet central d'octaèdres et deux feuillets adjacents Ti-Si. On peut décrire le bloc AC contenant des cations alcalins en termes de structures trimériques ressemblant à la nacaphite; tout comme dans la nacaphite, ces groupements trimériques sont liés le long de [100] pour former une chaîne infinie. Des groupements trimériques répondant à la formule [M 11-14 ], M = Na, Ca; : O, OH, F, Cl, sont répandus dans un groupe de sulfates, phosphates (et silicates) alcalins, par exemple

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Section: Possible Silicate Analoguesmentioning

confidence: 63%

The Crystal Chemistry of the [M3 11 14] Trimeric Structures: From Hyperagpaitic Complexes to Saline Lakes

Sokolova

Hawthorne

2001

The Canadian Mineralogist

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“…Recently it has been shown [Taylor and Clapp (1992); Taylor and Zhu Rui (1992)] that crystal Jeffery (1952) Rhombohedral, Takeuchi (1984) Rhombohedral, D'Inets etal. (1985) Hexagonal (F-substituted), Perez-Mendez et al (1984) Monoclinic, Nishi and Takeuchi (1985) Triclinic, Golovastikov et al (1975) KF.…”

Section: B Siroquant Phase Quantification With Phase (Hkl) Filesmentioning

confidence: 98%

Full-profile Rietveld quantitative XRD analysis of Portland cement: Standard XRD profiles for the major phase tricalcium silicate (C₃S: 3CaO.SiO₂)

Taylor

Aldridge

1993

Powder Diffr.

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The calculated XRD profiles of alite (impure Ca 3 SiO 5 , the major phase in Portland cement) derived from seven postulated crystal structures for alite were compared with a measured alite profile, extracted from the XRD pattern of a standard Portland cement. Only two of these profiles were found suitable for multiphase Rietveld phase quantification, namely those given by the monoclinic superlattice and triclinic models. These, however, gave very slow computing times because the large low-symmetry structures generated many X-ray reflections over the pattern. Also tested was an "observed" standard profile for alite, derived from experimental alite profiles, and generated using the (hkl) file feature of the SIROQUANT P.C. quantitative analysis system. This file was based on rhombohedral pseudosymmetry and contained very few (hkl) reflections, compared to the low-symmetry models (64 reflections instead of 951 for the monoclinic and 1691 for the triclinic models, respectively). The latter standard profile gave the best fit to the known phase concentrations and gave computing times which were shorter by factors of 2.5 and 4.9 than those for the monoclinic and triclinic standard profiles, respectively.

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“…The analysis of the crystal structure of C 3 S has been mainly based on powder XRD, DTA and optical microscopy. Only three polymorphic structures (R, M3 and T1) of C 3 S have been determined by synthesizing single crystals [2][3][4][5]. In order to perform accurate Rietveld quantitative phase analysis (QXRD), several studies in the last decade have focused on the crystal structure of alite [6][7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Research review of cement clinker chemistry

Ludwig

Zhang

2015

Cement and Concrete Research

246

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The crystal structure of tricalcium silicate

Cited by 129 publications

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The Crystal Chemistry of the [M3 11 14] Trimeric Structures: From Hyperagpaitic Complexes to Saline Lakes

The Crystal Chemistry of the [M3 11 14] Trimeric Structures: From Hyperagpaitic Complexes to Saline Lakes

Full-profile Rietveld quantitative XRD analysis of Portland cement: Standard XRD profiles for the major phase tricalcium silicate (C₃S: 3CaO.SiO₂)

Research review of cement clinker chemistry

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The crystal structure of tricalcium silicate

Cited by 129 publications

References 0 publications

The Crystal Chemistry of the [M3 11 14] Trimeric Structures: From Hyperagpaitic Complexes to Saline Lakes

The Crystal Chemistry of the [M3 11 14] Trimeric Structures: From Hyperagpaitic Complexes to Saline Lakes

Full-profile Rietveld quantitative XRD analysis of Portland cement: Standard XRD profiles for the major phase tricalcium silicate (C3S: 3CaO.SiO2)

Research review of cement clinker chemistry

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Full-profile Rietveld quantitative XRD analysis of Portland cement: Standard XRD profiles for the major phase tricalcium silicate (C₃S: 3CaO.SiO₂)