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            <idno type="halRefHtml">&lt;i&gt;Crystal Growth &amp; Design&lt;/i&gt;, 2011, 11, pp.4017-4026. &lt;a target="_blank" href="https://dx.doi.org/10.1021/cg200587s"&gt;&amp;#x27E8;10.1021/cg200587s&amp;#x27E9;&lt;/a&gt;</idno>
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                <title xml:lang="en">Silicon Location in Silicate-Substituted Calcium Phosphate Ceramics Determined by Neutron Diffraction</title>
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                <title level="j">Crystal Growth &amp; Design</title>
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                <term xml:lang="en">Calcium silicate</term>
                <term xml:lang="en">Silicon</term>
                <term xml:lang="en">Neutron diffraction</term>
                <term xml:lang="en">Powder pattern</term>
                <term xml:lang="en">Rietveld method</term>
                <term xml:lang="en">Raman spectroscopy</term>
                <term xml:lang="en">Hydroxyapatite</term>
                <term xml:lang="en">Polymorphism</term>
                <term xml:lang="en">Crystal structure</term>
                <term xml:lang="en">Silicon additions</term>
                <term xml:lang="en">Vacancies</term>
                <term xml:lang="en">Carbonates</term>
                <term xml:lang="en">Hexagonal lattices</term>
                <term xml:lang="en">Solid solutions</term>
                <term xml:lang="en">Calcium phosphate</term>
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              <p>The silicate incorporation in calcium phosphate bioceramics was studied by X-ray and neutron powder diffraction (joint Rietveld refinement) and micro-Raman spectroscopy. For a phosphate substitution level of 15 mol % multiphase ceramic is obtained passing from biphasic calcium phosphate (BCP) ceramic to ceramic composed of hydroxyapatite (HAp), silicocarnotite, and tricalcium phosphate (both α- and β-TCP polymorphs). The quantity of silicate incorporation increases when passing from β-TCP (Ca3(PO4)2, silicate level not measurable) to α-TCP (Ca3(PO4)1.875(SiO4)0.125 with 6.25 mol % of phosphate substitution or 1.13 wt % of incorporated silicon), to HAp (Ca10(PO4)4.9(2)(SiO4)1.1(2)(OH)1.0(1)O0.66(7) with 18.3 mol % of phosphate substitution or 3.11 wt % of silicon), and to silicocarnotite (Ca5(PO4)1.9(2)(SiO4)1.1(2) with 36.7 mol % of phosphate substitution or 6.40 wt % of silicon). The mechanism of silicate incorporation into HAp structure is multiple and involves the creation of two kinds of vacancies: hydroxyl vacancies and phosphate/silicate vacancies due to a carbonate-involving mechanism leading to the composition Ca10(PO4)6―x―2y(SiO4)x+y(□T)y(OH)2―xOy□x―y. The formation of important hydroxyl vacancies in the hexagonal channel of the HAp structure leads to the stabilization of silicocarnotite (that can be considered as a polymorph of the highly Si-substituted HAp phase). The Ca10(PO4)4.9(2)(SiO4)1.1(2)(OH)1.0(1)O0.66(7) composition appears then to be the end-member of the hexagonal Si-HAp solid solution. Silicocarnotite is formed above this silicate insertion level</p>
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