empirical potentials, ab initio electronic structure

由 JP Crocombette 著作 · 1998 · 被引用 72 次 — Modeling the structure of zircon (ZrSiO4): empirical potentials, ab initio ... The second one, namely ab initio electronic structure calculations ...

ZrSiO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms.

Zirconium silicate, also zirconium orthosilicate, ZrSiO4, is a chemical compound, a silicate of zirconium. ... Crystal structure. tetragonal. Thermochemistry.

ZrSiO₄ is Zircon structured and crystallizes in the tetragonal I4₁/amd space group. Zr⁴⁺ is bonded in a 8-coordinate geometry to eight equivalent O²⁻ atoms.

Zirconium silicate | O4SiZr | CID 61775 - structure, chemical names, physical and chemical properties, classification, patents, literature, ...

The Zircon, ZrSiO4, structure consists of SiO4 tetrahedra and 8 coordinate ZrO8. 545. 5. (5). How useful was this ...

Cation antisite Zr S i : In Zr S i , the Zr 6 forms a tetrahedron with four oxygen around it, with bond lengths of 1.9 A(+17% longer than the Si-O bonds). The ...

由 W Luo 著作 · 2008 · 被引用 7 次 — Kusaba et al.[6, 7] have studied the structural phase transition in. ZrSiO4 under shock compression. They have also analyzed the crystal structure of the high.

由 R Terki 著作 · 2005 · 被引用 171 次 — Crystal structure of ZrSiO4 in its zircon phase. The eight oxygen atoms co-ordinated to a zirconium atom have the geometry of a triangular dodecahedron. Four of ...