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The term "octahedral" is used somewhat loosely by chemists, focusing on the geometry of the bonds to the central atom and not considering differences among the ligands themselves. For example, [Co(NH 3 ) 6 ] 3+ , which is not octahedral in the mathematical sense due to the orientation of the N−H bonds, is referred to as octahedral.
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
full octahedral symmetry: This group has the same rotation axes as O, but with mirror planes, comprising both the mirror planes of T d and T h. The three-fold axes give rise to four D 3d subgroups. The three perpendicular four-fold axes of O now give D 4h subgroups, while the six two-fold axes give six D 2h subgroups.
Six spheres surround an octahedral voids with three spheres coming from one layer and three spheres coming from the next layer. Structures of many simple chemical compounds, for instance, are often described in terms of small atoms occupying tetrahedral or octahedral holes in closed-packed systems that are formed from larger atoms.
In Sn 6 O 4 (OH) 4 clusters, the six tin atoms form an octahedral array with alternate faces of the octahedron occupied by an oxide or hydroxide moiety, each bonded in a μ 3-binding mode to three tin atoms. [8] Crystal structures have been reported for compounds with the formula Sn 6 O 4 (OR) 4, where R is an alkoxide such as a methyl or ethyl ...
The primary face of the subdivision is called a principal polyhedral triangle (PPT) or the breakdown structure. Calculating a single PPT allows the entire figure to be created. The frequency of a geodesic polyhedron is defined by the sum of ν = b + c. A harmonic is a subfrequency and can be any whole divisor of ν.
Extreme Loading for Structures (ELS) is commercial structural-analysis software based on the applied element method (AEM) for the automatic tracking and propagation of cracks, separation of elements, element collision, and collapse of structures under extreme loads. [1]
Examples of the capped octahedral molecular geometry are the heptafluoromolybdate (MoF − 7) and the heptafluorotungstate (WF − 7) ions. [3] [4] The "distorted octahedral geometry" exhibited by some AX 6 E 1 molecules such as xenon hexafluoride (XeF 6) is a variant of this geometry, with the lone pair occupying the "cap" position.