2008
DOI: 10.1524/zkri.2008.0002
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Abstract: Connections established during last century between bond length, radii, bond strength, bond valence and crystal and molecular chemistry are briefly reviewed followed by a survey of the physical properties of the electron density distributions for a variety of minerals and representative molecules, recently generated with first-principles local energy density quantum mechanical methods. The structures for several minerals, geometry-optimized at zero pressure and at a variety of pressures were found to agree wit… Show more

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Cited by 46 publications
(43 citation statements)
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“…2 . 1) concerning the bonding forces in silicate minerals, the meaning of ionic radii, and the quantum mechanical underpinnings for the concept of bond valence (Gibbs, 1982;Gibbs et al, 2008) . In the early 1970's Jerry applied extended Hückel molecular orbital (MO) theory to understand, at a more fundamental level, the inverse correlation between Si-O bond lengths and Si-O-Si angles in framework silicates (Gibbs et al ., 1972;Gibbs et al ., 1974) first recognised by Jerry and me (Brown et al ., 1969) .…”
Section: The Influence Of Jerry Gibbs -Modern Mineralogist Extraordinmentioning
confidence: 99%
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“…2 . 1) concerning the bonding forces in silicate minerals, the meaning of ionic radii, and the quantum mechanical underpinnings for the concept of bond valence (Gibbs, 1982;Gibbs et al, 2008) . In the early 1970's Jerry applied extended Hückel molecular orbital (MO) theory to understand, at a more fundamental level, the inverse correlation between Si-O bond lengths and Si-O-Si angles in framework silicates (Gibbs et al ., 1972;Gibbs et al ., 1974) first recognised by Jerry and me (Brown et al ., 1969) .…”
Section: The Influence Of Jerry Gibbs -Modern Mineralogist Extraordinmentioning
confidence: 99%
“…This remarkable paper showed that the local bonding forces controlling the bond lengths and bond angles of H 4 SiO 4 tetrahedral molecules and hydroxyacid molecules (H 6 IV T 2 O 7 : T = Si, Al, B) in the gas phase or in an aqueous solution are very similar to those in the tetrahedral portion of silicate, aluminosilicate, and borosilicate minerals (Gibbs, 1982) . In his 2008 paper (Gibbs et al ., 2008), Jerry used the concept of bond paths developed by Richard Bader (Bader, 1991) to provide a detailed understanding of the bonded and nonbonded electron density distributions in silicates and sulphides and to provide a quantum mechanical basis for the empirical correlations between bond strength and bond length developed by Brown and Shannon (1973) and others (Smith, 1953;Zachariasen, 1963;Brown and Altermatt, 1985;Brese and O'Keeffe, 1991) .…”
Section: The Influence Of Jerry Gibbs -Modern Mineralogist Extraordinmentioning
confidence: 99%
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“…Silicon is among most widely distributed elements in Earth and Moon crusts, and silicate and alumo-silicate minerals are most frequent in nature [1][2][3][4][5][6]. In oxide crystals the silicon atoms are typically coordinated by four oxygen atoms and the range of shortest Si O chemical bond lengths observed in silicates is L(Si O) ≈ 142-171 pm, but mainly this range is ≈ 156-163 pm [3][4][5].…”
Section: Introductionmentioning
confidence: 99%
“…In oxide crystals the silicon atoms are typically coordinated by four oxygen atoms and the range of shortest Si O chemical bond lengths observed in silicates is L(Si O) ≈ 142-171 pm, but mainly this range is ≈ 156-163 pm [3][4][5]. For noncentrosymmetric (NCS) oxides the values of L(Si-O) are positioned in the middle of the range of L(E-O) related to formation of NCS oxide crystals with measurable acentric physical properties [7].…”
Section: Introductionmentioning
confidence: 99%