Abstract:Quartz / Si0 2 / GeO z / Pressure / Crystal chemistry / Crystal structuresAbstract Lattice parameters and crystal structures of the low-temperature quartz-type ('low-quartz') forms (space group P3i21) of Si0 2 and Ge0 2 were refined from single-crystal X-ray diffraction data under hydrostatic pressures up to 10.2 GPa for Si0 2 and 5.57 GPa for Ge0 2 . R W (F) values range from 2 to 5%.
“…1 and 2 and Tables 1-5) are in very good agreement with previous single-crystal X-ray diffraction studies on small crystals (5,14). In fact, the intertetrahedral Ge-O-Ge bridging angle, y; and the tilt angle, d; which are very sensitive to the fractional atomic coordinates agree remarkably well.…”
Section: Structural Evolution At High Temperaturesupporting
confidence: 88%
“…In both cases, the space group is P3 1 21 (or P3 2 21) with Z ¼ 3: The piezoelectric coupling coefficient of these materials was found to increase linearly as a function of structural distortion with respect to b-quartz structure type. This distortion can be described in terms of the intertetrahedral A-O-B bridging angle, y; or the tilt angle with respect to the b-quartz structure type, d (note for b-quartz y ¼ 1541; d ¼ 01)U The most distorted structures found among a-quartz homeotypes (3,5) are those of GeO 2 (y ¼ 130:01; d ¼ 26:61) and GaAsO 4 (y ¼ 129:61; d ¼ 26:91). Based on structureproperty relationships, these compounds should exhibit the highest piezoelectric coupling coefficients for a-quartztype materials.…”
“…1 and 2 and Tables 1-5) are in very good agreement with previous single-crystal X-ray diffraction studies on small crystals (5,14). In fact, the intertetrahedral Ge-O-Ge bridging angle, y; and the tilt angle, d; which are very sensitive to the fractional atomic coordinates agree remarkably well.…”
Section: Structural Evolution At High Temperaturesupporting
confidence: 88%
“…In both cases, the space group is P3 1 21 (or P3 2 21) with Z ¼ 3: The piezoelectric coupling coefficient of these materials was found to increase linearly as a function of structural distortion with respect to b-quartz structure type. This distortion can be described in terms of the intertetrahedral A-O-B bridging angle, y; or the tilt angle with respect to the b-quartz structure type, d (note for b-quartz y ¼ 1541; d ¼ 01)U The most distorted structures found among a-quartz homeotypes (3,5) are those of GeO 2 (y ¼ 130:01; d ¼ 26:61) and GaAsO 4 (y ¼ 129:61; d ¼ 26:91). Based on structureproperty relationships, these compounds should exhibit the highest piezoelectric coupling coefficients for a-quartztype materials.…”
“…24) Figure 8 shows the possible empty sites in crystalline SiO 2 , which belong to the quartz structure with P3121 space group. These were calculated in Si 3 O 6 basic units using the find empty space tool of MedeA.…”
To clarify the reaction mechanism of SiO anode, the chemical and the electrochemical reactions of SiO and SiO 2 with Li-metal and first principles calculations were investigated. In the chemical reactions, SiO and amorphous SiO 2 formed lithium silicide (Li 44 Si 5 ) and lithium silicate (Li 2 SiO 3 , Li 4 SiO 4 ) by reacting with Li. In the electrochemical reactions, crystalline SiO 2 did not react with Li though amorphous SiO 2 did do so. These results indicated that both Si area and amorphous SiO 2 area in SiO matrix play an important part in SiO chargedischarge process. This suggests that the dangling-bond in amorphous SiO 2 can react with Li easily. This finding was also confirmed by first principles calculations using VASP code.
“…A scan is performed in a few hours, data processing takes considerably longer. In each Laue image, multiple spots were indexed using reference values for the quartz unit cell (a = 4.921 Å, c = 5.4163 Å, Glinnemann et al 1992). The misfit between the indexed patterns and the reference patterns are interpreted as residual elastic strain.…”
Abstract:Residual elastic strain in naturally deformed, quartz-containing rocks can be measured quantitatively in a petrographic thin section with high spatial resolution using Laue microdiffraction with white synchrotron x-rays. The measurements with a resolution of one micrometer allow the quantitative determination of the deviatoric strain tensor as a function of position within the crystal investigated. The observed equivalent strain values of 800-1200 microstrains represent a lower bound of the actual preserved residual strain in the rock, since the stress component perpendicular to the cut sample surface plane is released. The measured equivalent strain translates into an equivalent stress in the order of ~ 50 MPa.
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